3-(4-chlorophenyl)-N-methyl-5-methylsulfanyl-N-phenyl-1,2,4-triazole-1-carboxamide

C17H15ClN4OS — CID 11210560

IUPAC3-(4-chlorophenyl)-N-methyl-5-methylsulfanyl-N-phenyl-1,2,4-triazole-1-carboxamide
SMILESCSc1nc(-c2ccc(Cl)cc2)nn1C(=O)N(C)c1ccccc1
InChIInChI=1S/C17H15ClN4OS/c1-21(14-6-4-3-5-7-14)17(23)22-16(24-2)19-15(20-22)12-8-10-13(18)11-9-12/h3-11H,1-2H3
InChIKeyAKOLSQVNOPLCPO-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.42
Rot. Bonds3

About 3-(4-chlorophenyl)-N-methyl-5-methylsulfanyl-N-phenyl-1,2,4-triazole-1-carboxamide

3-(4-chlorophenyl)-N-methyl-5-methylsulfanyl-N-phenyl-1,2,4-triazole-1-carboxamide (PubChem CID 11210560) has the molecular formula C17H15ClN4OS and a molecular weight of 358.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-methyl-5-methylsulfanyl-N-phenyl-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-methyl-5-methylsulfanyl-N-phenyl-1,2,4-triazole-1-carboxamide
PubChem CID11210560
Molecular FormulaC17H15ClN4OS
Molecular Weight358.85 g/mol
Exact Mass358.07
IUPAC Name3-(4-chlorophenyl)-N-methyl-5-methylsulfanyl-N-phenyl-1,2,4-triazole-1-carboxamide
SMILESCSc1nc(-c2ccc(Cl)cc2)nn1C(=O)N(C)c1ccccc1
InChIInChI=1S/C17H15ClN4OS/c1-21(14-6-4-3-5-7-14)17(23)22-16(24-2)19-15(20-22)12-8-10-13(18)11-9-12/h3-11H,1-2H3
InChIKeyAKOLSQVNOPLCPO-UHFFFAOYSA-N
XLogP4.42
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-N-methyl-N-phenyl-5-(2,2,2-trifluoroethylsulfanyl)-1,2,4-triazole-1-carboxamide
CID 10094001
1-(benzenesulfonyl)-3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole
CID 1051125
1-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)butan-1-one
CID 828558
[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-phenylmethanone
CID 50751012
1-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-2-phenylethanone
CID 976349
2-(4-chlorophenyl)-N-methyl-2-oxo-N-phenylacetamide
CID 13109495
6-chloro-N-methyl-N-phenylbenzotriazole-1-carboxamide
CID 66682959
[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(2-fluorophenyl)methanone
CID 46269774
N-methyl-2-(8-methylsulfanyl-2-phenylpurin-9-yl)-N-phenylacetamide
CID 139956993
N-(4-chlorophenyl)-2-methyl-N-phenylpropanamide
CID 138899896
(2S)-N-methyl-N-phenyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide
CID 7588870
1-[5-[4-(2-acetyl-5-phenyl-1,2,4-triazol-3-yl)phenyl]-3-phenyl-1,2,4-triazol-1-yl]ethanone
CID 118927380

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-methyl-5-methylsulfanyl-N-phenyl-1,2,4-triazole-1-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-methyl-5-methylsulfanyl-N-phenyl-1,2,4-triazole-1-carboxamide (CID 11210560) is 3-(4-chlorophenyl)-N-methyl-5-methylsulfanyl-N-phenyl-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-methyl-5-methylsulfanyl-N-phenyl-1,2,4-triazole-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-methyl-5-methylsulfanyl-N-phenyl-1,2,4-triazole-1-carboxamide is CSc1nc(-c2ccc(Cl)cc2)nn1C(=O)N(C)c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-methyl-5-methylsulfanyl-N-phenyl-1,2,4-triazole-1-carboxamide?
The InChIKey is AKOLSQVNOPLCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4OS/c1-21(14-6-4-3-5-7-14)17(23)22-16(24-2)19-15(20-22)12-8-10-13(18)11-9-12/h3-11H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-N-methyl-5-methylsulfanyl-N-phenyl-1,2,4-triazole-1-carboxamide?
3-(4-chlorophenyl)-N-methyl-5-methylsulfanyl-N-phenyl-1,2,4-triazole-1-carboxamide has a molecular weight of 358.85 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-methyl-5-methylsulfanyl-N-phenyl-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 11210560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).