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

C11H11N3OS — CID 16771043

IUPAC3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nccs2)cc1N
InChIInChI=1S/C11H11N3OS/c1-7-2-3-8(6-9(7)12)10(15)14-11-13-4-5-16-11/h2-6H,12H2,1H3,(H,13,14,15)
InChIKeySMIFVHZPISVSJY-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.29
Rot. Bonds2

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

3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 16771043) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID16771043
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nccs2)cc1N
InChIInChI=1S/C11H11N3OS/c1-7-2-3-8(6-9(7)12)10(15)14-11-13-4-5-16-11/h2-6H,12H2,1H3,(H,13,14,15)
InChIKeySMIFVHZPISVSJY-UHFFFAOYSA-N
XLogP2.29
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-4-methyl-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

[2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid
CID 87845278
3-amino-5-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 60861340
3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 9321514
3-amino-4-methyl-N-pyrimidin-2-ylbenzamide
CID 24691828
4-amino-3-phenyl-N-(1,3-thiazol-2-yl)benzamide
CID 86046995
4-amino-3-chloro-5-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 86046988
4-methyl-3-[(4-nitrobenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 22636158
2,4-dimethyl-N-(1,3-thiazol-2-yl)benzamide
CID 953286
2-methyl-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-carboxamide
CID 110765316
3-amino-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 61090146
3-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 17362164
4-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 16651068

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide (CID 16771043) is 3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide is Cc1ccc(C(=O)Nc2nccs2)cc1N.
What is the InChIKey of 3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is SMIFVHZPISVSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-7-2-3-8(6-9(7)12)10(15)14-11-13-4-5-16-11/h2-6H,12H2,1H3,(H,13,14,15).
What are the key properties of 3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide?
3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 233.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 16771043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).