N-[(2-methylphenyl)carbamoyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C12H13N5O2S — CID 162284145

IUPACN-[(2-methylphenyl)carbamoyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCc1ccccc1NC(=O)NC(=O)CSc1ncn[nH]1
InChIInChI=1S/C12H13N5O2S/c1-8-4-2-3-5-9(8)15-11(19)16-10(18)6-20-12-13-7-14-17-12/h2-5,7H,6H2,1H3,(H,13,14,17)(H2,15,16,18,19)
InChIKeyHOMQJKGLPHPXAZ-UHFFFAOYSA-N
MW291.34 g/mol
LogP1.55
Rot. Bonds4

About N-[(2-methylphenyl)carbamoyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-[(2-methylphenyl)carbamoyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 162284145) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[(2-methylphenyl)carbamoyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)carbamoyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID162284145
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC NameN-[(2-methylphenyl)carbamoyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCc1ccccc1NC(=O)NC(=O)CSc1ncn[nH]1
InChIInChI=1S/C12H13N5O2S/c1-8-4-2-3-5-9(8)15-11(19)16-10(18)6-20-12-13-7-14-17-12/h2-5,7H,6H2,1H3,(H,13,14,17)(H2,15,16,18,19)
InChIKeyHOMQJKGLPHPXAZ-UHFFFAOYSA-N
XLogP1.55
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2-methylphenyl)carbamoyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide 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

N-[2-(2-methylphenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 9290117
2-(1H-1,2,4-triazol-5-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 704548
N-(4-methoxy-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 9458130
N-(4-iodo-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2347051
N-(3-chloro-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide;hydrochloride
CID 45054225
N-(2-methylpropylcarbamoyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 7785056
N-tert-butyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 575336
N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 712248
N-(2,6-dimethylphenyl)-2-[methyl-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]acetamide
CID 9290027
N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 35039860
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 17017910
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 7785128

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)carbamoyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-[(2-methylphenyl)carbamoyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 162284145) is N-[(2-methylphenyl)carbamoyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-[(2-methylphenyl)carbamoyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-[(2-methylphenyl)carbamoyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is Cc1ccccc1NC(=O)NC(=O)CSc1ncn[nH]1.
What is the InChIKey of N-[(2-methylphenyl)carbamoyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is HOMQJKGLPHPXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S/c1-8-4-2-3-5-9(8)15-11(19)16-10(18)6-20-12-13-7-14-17-12/h2-5,7H,6H2,1H3,(H,13,14,17)(H2,15,16,18,19).
What are the key properties of N-[(2-methylphenyl)carbamoyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-[(2-methylphenyl)carbamoyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 291.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)carbamoyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 162284145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).