N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C11H12N4OS — CID 712248

IUPACN-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCc1cccc(NC(=O)CSc2ncn[nH]2)c1
InChIInChI=1S/C11H12N4OS/c1-8-3-2-4-9(5-8)14-10(16)6-17-11-12-7-13-15-11/h2-5,7H,6H2,1H3,(H,14,16)(H,12,13,15)
InChIKeyNLVYFGVJBUOGTE-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.84
Rot. Bonds4

About N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 712248) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID712248
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC NameN-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCc1cccc(NC(=O)CSc2ncn[nH]2)c1
InChIInChI=1S/C11H12N4OS/c1-8-3-2-4-9(5-8)14-10(16)6-17-11-12-7-13-15-11/h2-5,7H,6H2,1H3,(H,14,16)(H,12,13,15)
InChIKeyNLVYFGVJBUOGTE-UHFFFAOYSA-N
XLogP1.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-iodophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2952564
methyl 3-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate
CID 2238286
N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 8706804
N-(4-chlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 712238
N-(3-chloro-4-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 7976869
N-[4-(diethylamino)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 974993
N-(3-chloro-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide;hydrochloride
CID 45054225
N-(1,3-benzodioxol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2374011
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 701583
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 1314949
N-(4-iodo-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2347051

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 712248) is N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is Cc1cccc(NC(=O)CSc2ncn[nH]2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is NLVYFGVJBUOGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-8-3-2-4-9(5-8)14-10(16)6-17-11-12-7-13-15-11/h2-5,7H,6H2,1H3,(H,14,16)(H,12,13,15).
What are the key properties of N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 248.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 712248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).