2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide

C11H12N4OS — CID 47156538

IUPAC2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESCSCC(=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C11H12N4OS/c1-17-6-11(16)14-9-2-4-10(5-3-9)15-8-12-7-13-15/h2-5,7-8H,6H2,1H3,(H,14,16)
InChIKeyWTZWNJHNFZBUMJ-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.57
Rot. Bonds4

About 2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide

2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide (PubChem CID 47156538) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
PubChem CID47156538
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESCSCC(=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C11H12N4OS/c1-17-6-11(16)14-9-2-4-10(5-3-9)15-8-12-7-13-15/h2-5,7-8H,6H2,1H3,(H,14,16)
InChIKeyWTZWNJHNFZBUMJ-UHFFFAOYSA-N
XLogP1.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 63680079
2-[2-oxo-2-[4-(1,2,4-triazol-1-yl)anilino]ethyl]sulfanylacetic acid
CID 104569135
[4-(1,2,4-triazol-1-yl)phenyl]carbamic acid
CID 66927702
5-oxo-5-[4-(1,2,4-triazol-1-yl)anilino]pentanoic acid
CID 60934318
(2S)-2-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 79024180
4-(4-ethylphenyl)-4-oxo-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 37122275
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 37121675
2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 47303590
2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 62834156
(E)-4-oxo-4-[4-(1,2,4-triazol-1-yl)anilino]but-2-enoic acid
CID 54867041
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 37121401
6-[(2-sulfanylacetyl)amino]-N-[4-(1,2,4-triazol-1-yl)phenyl]hexanamide
CID 11551982

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide (CID 47156538) is 2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide is CSCC(=O)Nc1ccc(-n2cncn2)cc1.
What is the InChIKey of 2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide?
The InChIKey is WTZWNJHNFZBUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-17-6-11(16)14-9-2-4-10(5-3-9)15-8-12-7-13-15/h2-5,7-8H,6H2,1H3,(H,14,16).
What are the key properties of 2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide?
2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide has a molecular weight of 248.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 47156538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).