5-amino-2-methyl-N-(thiatriazol-5-yl)benzamide

C9H9N5OS — CID 114911640

IUPAC5-amino-2-methyl-N-(thiatriazol-5-yl)benzamide
SMILESCc1ccc(N)cc1C(=O)Nc1nnns1
InChIInChI=1S/C9H9N5OS/c1-5-2-3-6(10)4-7(5)8(15)11-9-12-13-14-16-9/h2-4H,10H2,1H3,(H,11,12,14,15)
InChIKeyPRECFMHPGPBHTP-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.08
Rot. Bonds2

About 5-amino-2-methyl-N-(thiatriazol-5-yl)benzamide

5-amino-2-methyl-N-(thiatriazol-5-yl)benzamide (PubChem CID 114911640) has the molecular formula C9H9N5OS and a molecular weight of 235.27 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(thiatriazol-5-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-(thiatriazol-5-yl)benzamide
PubChem CID114911640
Molecular FormulaC9H9N5OS
Molecular Weight235.27 g/mol
Exact Mass235.05
IUPAC Name5-amino-2-methyl-N-(thiatriazol-5-yl)benzamide
SMILESCc1ccc(N)cc1C(=O)Nc1nnns1
InChIInChI=1S/C9H9N5OS/c1-5-2-3-6(10)4-7(5)8(15)11-9-12-13-14-16-9/h2-4H,10H2,1H3,(H,11,12,14,15)
InChIKeyPRECFMHPGPBHTP-UHFFFAOYSA-N
XLogP1.08
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-amino-2-methyl-N-(thiatriazol-5-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

5-amino-N-carbamoyl-2-methylbenzamide
CID 130015000
4-amino-N-(thiatriazol-5-yl)pyridine-3-carboxamide
CID 114914399
5-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 55260016
5-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methylbenzamide;hydrochloride
CID 120624908
2-amino-N-(thiatriazol-5-yl)-5-(trifluoromethyl)benzamide
CID 114914384
5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide
CID 61291913
2,4-dibromo-N-(thiatriazol-5-yl)benzamide
CID 107953571
5-amino-2-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 120619567
2-amino-5-bromo-N-(thiatriazol-5-yl)pyridine-3-carboxamide
CID 114914283
3-hydroxy-N-(thiatriazol-5-yl)naphthalene-2-carboxamide
CID 114912843
5-bromo-2-chloro-N-(thiatriazol-5-yl)benzamide
CID 114912771
N-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-dimethylbenzamide
CID 79513275

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(thiatriazol-5-yl)benzamide?
The IUPAC name of 5-amino-2-methyl-N-(thiatriazol-5-yl)benzamide (CID 114911640) is 5-amino-2-methyl-N-(thiatriazol-5-yl)benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-(thiatriazol-5-yl)benzamide?
The canonical SMILES for 5-amino-2-methyl-N-(thiatriazol-5-yl)benzamide is Cc1ccc(N)cc1C(=O)Nc1nnns1.
What is the InChIKey of 5-amino-2-methyl-N-(thiatriazol-5-yl)benzamide?
The InChIKey is PRECFMHPGPBHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5OS/c1-5-2-3-6(10)4-7(5)8(15)11-9-12-13-14-16-9/h2-4H,10H2,1H3,(H,11,12,14,15).
What are the key properties of 5-amino-2-methyl-N-(thiatriazol-5-yl)benzamide?
5-amino-2-methyl-N-(thiatriazol-5-yl)benzamide has a molecular weight of 235.27 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-(thiatriazol-5-yl)benzamide is sourced from PubChem (CID 114911640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).