2-methyl-5-methylsulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

C12H14N4OS — CID 54883628

IUPAC2-methyl-5-methylsulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESCSc1ccc(C)c(C(=O)NCc2ncn[nH]2)c1
InChIInChI=1S/C12H14N4OS/c1-8-3-4-9(18-2)5-10(8)12(17)13-6-11-14-7-15-16-11/h3-5,7H,6H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyUKDMWXYAZJEKJZ-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.77
Rot. Bonds4

About 2-methyl-5-methylsulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

2-methyl-5-methylsulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (PubChem CID 54883628) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-methyl-5-methylsulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name2-methyl-5-methylsulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
PubChem CID54883628
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2-methyl-5-methylsulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESCSc1ccc(C)c(C(=O)NCc2ncn[nH]2)c1
InChIInChI=1S/C12H14N4OS/c1-8-3-4-9(18-2)5-10(8)12(17)13-6-11-14-7-15-16-11/h3-5,7H,6H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyUKDMWXYAZJEKJZ-UHFFFAOYSA-N
XLogP1.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-methylsulfanylbenzamide
CID 134018137
2-bromo-3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 103854320
2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883827
N-(2-acetamidoethyl)-2-methyl-5-methylsulfanylbenzamide
CID 47149231
5-chloro-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 115532376
5-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64523200
N-(2-hydroxy-2-methylpropyl)-2-methyl-5-methylsulfanylbenzamide
CID 65110031
3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883677
2-fluoro-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 113227599
2-fluoro-3-methyl-5-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 103297192
6-methyl-4-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 81244929
5-amino-2,4-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 61117794

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The IUPAC name of 2-methyl-5-methylsulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (CID 54883628) is 2-methyl-5-methylsulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.
What is the SMILES notation for 2-methyl-5-methylsulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The canonical SMILES for 2-methyl-5-methylsulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is CSc1ccc(C)c(C(=O)NCc2ncn[nH]2)c1.
What is the InChIKey of 2-methyl-5-methylsulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The InChIKey is UKDMWXYAZJEKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-8-3-4-9(18-2)5-10(8)12(17)13-6-11-14-7-15-16-11/h3-5,7H,6H2,1-2H3,(H,13,17)(H,14,15,16).
What are the key properties of 2-methyl-5-methylsulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
2-methyl-5-methylsulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide has a molecular weight of 262.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is sourced from PubChem (CID 54883628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).