3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide

C15H12N4OS — CID 142684609

IUPAC3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide
SMILESNC(=O)c1cccc(Nc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C15H12N4OS/c16-14(20)11-2-1-3-12(8-11)18-15-19-13(9-21-15)10-4-6-17-7-5-10/h1-9H,(H2,16,20)(H,18,19)
InChIKeyYQHQMJZMROMMNR-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.05
Rot. Bonds4

About 3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide

3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide (PubChem CID 142684609) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide.

Molecular Properties

Compound Name3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide
PubChem CID142684609
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide
SMILESNC(=O)c1cccc(Nc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C15H12N4OS/c16-14(20)11-2-1-3-12(8-11)18-15-19-13(9-21-15)10-4-6-17-7-5-10/h1-9H,(H2,16,20)(H,18,19)
InChIKeyYQHQMJZMROMMNR-UHFFFAOYSA-N
XLogP3.05
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 58791547
3-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid;hydrobromide
CID 146051372
3-[[4-(1-oxidopyridin-1-ium-3-yl)-1,3-thiazol-2-yl]amino]benzamide
CID 156506787
methyl 3-[[4-[5-[2-(3-methoxycarbonylanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzoate
CID 139227752
1-[3-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 53338346
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492822
3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide
CID 71478317
N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564808
N-(3-methylsulfanylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 58910606
tris[3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl] phosphate
CID 87639294
methyl 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 84565441
4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzoate
CID 3513785

Frequently Asked Questions

What is the IUPAC name of 3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide?
The IUPAC name of 3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide (CID 142684609) is 3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide.
What is the SMILES notation for 3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide?
The canonical SMILES for 3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide is NC(=O)c1cccc(Nc2nc(-c3ccncc3)cs2)c1.
What is the InChIKey of 3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide?
The InChIKey is YQHQMJZMROMMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c16-14(20)11-2-1-3-12(8-11)18-15-19-13(9-21-15)10-4-6-17-7-5-10/h1-9H,(H2,16,20)(H,18,19).
What are the key properties of 3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide?
3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide has a molecular weight of 296.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide is sourced from PubChem (CID 142684609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).