Research chemical
CAS Number: 110788-25-5
Product details
For laboratory research and professional procurement workflows.
PubChem CID
659068
Exact Mass
235.114319
InChIKey
GRFZECBQOVYTMH-UHFFFAOYSA-N
IUPAC Name
4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-diamine
SMILES String
CC1CN=C(Nc2ccc(N(C)C)cc2)S1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
N1,N1-Dimethyl-N4-(5-methyl-4,5-dihydro-1,3-thiazol-2-YL)benzene-1,4-diamine is identified by CAS 110788-25-5, with molecular formula C12H17N3S, molecular weight 235.35, InChIKey GRFZECBQOVYTMH-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Tyrosyl-DNA phosphodiesterase 1. These records do not establish therapeutic efficacy or clinical use.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Heavy atom count
16
H-bond acceptors
3
H-bond donors
1
Rotatable bonds
2
Ring count
2
Aromatic rings
1
Topological polar surface area
27.63 Ų
Computed LogP
2.66
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
N1,N1-Dimethyl-N4-(5-methyl-4,5-dihydro-1,3-thiazol-2-YL)benzene-1,4-diamine (CAS 110788-25-5) is maintained as a cataloged research chemical with formula C12H17N3S, molecular weight 235. 35 g/mol, PubChem CID 659068.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle, fragment-like structure profile, lead-like structure profile, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
ChEMBL reports experimental activity evidence for: Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Tyrosyl-DNA phosphodiesterase 1
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.