4-amino-3-phenyl-N-(1,3-thiazol-2-yl)benzamide

C16H13N3OS — CID 86046995

IUPAC4-amino-3-phenyl-N-(1,3-thiazol-2-yl)benzamide
SMILESNc1ccc(C(=O)Nc2nccs2)cc1-c1ccccc1
InChIInChI=1S/C16H13N3OS/c17-14-7-6-12(15(20)19-16-18-8-9-21-16)10-13(14)11-4-2-1-3-5-11/h1-10H,17H2,(H,18,19,20)
InChIKeyKNRASHUDYNBNDZ-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.64
Rot. Bonds3

About 4-amino-3-phenyl-N-(1,3-thiazol-2-yl)benzamide

4-amino-3-phenyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 86046995) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 4-amino-3-phenyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-phenyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID86046995
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name4-amino-3-phenyl-N-(1,3-thiazol-2-yl)benzamide
SMILESNc1ccc(C(=O)Nc2nccs2)cc1-c1ccccc1
InChIInChI=1S/C16H13N3OS/c17-14-7-6-12(15(20)19-16-18-8-9-21-16)10-13(14)11-4-2-1-3-5-11/h1-10H,17H2,(H,18,19,20)
InChIKeyKNRASHUDYNBNDZ-UHFFFAOYSA-N
XLogP3.64
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-3-phenyl-N-(1,3-thiazol-2-yl)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-phenylbenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361308
3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 16771043
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
3-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 17362164
[2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid
CID 87845278
4-(2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 942201
3-amino-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 61090146
N-(1,3-thiazol-2-yl)-2H-benzotriazole-5-carboxamide
CID 18276930
4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 940171
2-methyl-4-phenyl-3-(1,3-thiazol-2-ylcarbamoyl)benzoic acid
CID 91062779
N-(1,3-thiazol-2-yl)isoquinoline-6-carboxamide
CID 110485084
4-anilino-3-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 27257229

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-phenyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-amino-3-phenyl-N-(1,3-thiazol-2-yl)benzamide (CID 86046995) is 4-amino-3-phenyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-amino-3-phenyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-amino-3-phenyl-N-(1,3-thiazol-2-yl)benzamide is Nc1ccc(C(=O)Nc2nccs2)cc1-c1ccccc1.
What is the InChIKey of 4-amino-3-phenyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is KNRASHUDYNBNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c17-14-7-6-12(15(20)19-16-18-8-9-21-16)10-13(14)11-4-2-1-3-5-11/h1-10H,17H2,(H,18,19,20).
What are the key properties of 4-amino-3-phenyl-N-(1,3-thiazol-2-yl)benzamide?
4-amino-3-phenyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 295.37 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-phenyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 86046995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).