2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide

C11H12N4OS — CID 86790555

IUPAC2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
SMILESCn1ncnc1SC(C(N)=O)c1ccccc1
InChIInChI=1S/C11H12N4OS/c1-15-11(13-7-14-15)17-9(10(12)16)8-5-3-2-4-6-8/h2-7,9H,1H3,(H2,12,16)
InChIKeyOTVSIZQDDOFBQD-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.13
Rot. Bonds4

About 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide

2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide (PubChem CID 86790555) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
PubChem CID86790555
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
SMILESCn1ncnc1SC(C(N)=O)c1ccccc1
InChIInChI=1S/C11H12N4OS/c1-15-11(13-7-14-15)17-9(10(12)16)8-5-3-2-4-6-8/h2-7,9H,1H3,(H2,12,16)
InChIKeyOTVSIZQDDOFBQD-UHFFFAOYSA-N
XLogP1.13
TPSA73.80 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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 94017809
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylbutan-1-amine
CID 104604730
2-phenyl-2-pyrimidin-2-ylsulfanylacetamide
CID 18136130
(2R)-2-phenyl-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide
CID 41434250
(2R)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 41438042
2-(1-ethyl-5-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 18139283
(2R)-2-(1-benzylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 41434046
(2R)-2-methylsulfanyl-2-phenylacetamide
CID 101026307
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 16592251
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide
CID 46690854
2-phenyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 18135033
(2S)-2-phenyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 52531445

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide?
The IUPAC name of 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide (CID 86790555) is 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide.
What is the SMILES notation for 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide?
The canonical SMILES for 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide is Cn1ncnc1SC(C(N)=O)c1ccccc1.
What is the InChIKey of 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide?
The InChIKey is OTVSIZQDDOFBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-15-11(13-7-14-15)17-9(10(12)16)8-5-3-2-4-6-8/h2-7,9H,1H3,(H2,12,16).
What are the key properties of 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide?
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide has a molecular weight of 248.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide is sourced from PubChem (CID 86790555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).