2-phenyl-2-(1H-triazin-2-ylsulfanyl)acetamide

C11H12N4OS — CID 87343906

IUPAC2-phenyl-2-(1H-triazin-2-ylsulfanyl)acetamide
SMILESNC(=O)C(SN1N=CC=CN1)c1ccccc1
InChIInChI=1S/C11H12N4OS/c12-11(16)10(9-5-2-1-3-6-9)17-15-13-7-4-8-14-15/h1-8,10,13H,(H2,12,16)
InChIKeyLMVFIOZOODPVEJ-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.18
Rot. Bonds4

About 2-phenyl-2-(1H-triazin-2-ylsulfanyl)acetamide

2-phenyl-2-(1H-triazin-2-ylsulfanyl)acetamide (PubChem CID 87343906) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-phenyl-2-(1H-triazin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound Name2-phenyl-2-(1H-triazin-2-ylsulfanyl)acetamide
PubChem CID87343906
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name2-phenyl-2-(1H-triazin-2-ylsulfanyl)acetamide
SMILESNC(=O)C(SN1N=CC=CN1)c1ccccc1
InChIInChI=1S/C11H12N4OS/c12-11(16)10(9-5-2-1-3-6-9)17-15-13-7-4-8-14-15/h1-8,10,13H,(H2,12,16)
InChIKeyLMVFIOZOODPVEJ-UHFFFAOYSA-N
XLogP1.18
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-methylsulfanyl-2-phenylacetamide
CID 101026307
2-phenyl-2-pyrimidin-2-ylsulfanylacetamide
CID 18136130
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 16592251
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
CID 86790555
(2R)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 94017809
2-phenyl-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 18138139
methyl [(2-amino-2-oxo-1-phenylethyl)disulfanyl]formate
CID 22215743
(2R)-2-phenyl-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 95629343
(2R)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 41438042
(2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide
CID 7338416
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetic acid
CID 60708323
2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 42886979

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(1H-triazin-2-ylsulfanyl)acetamide?
The IUPAC name of 2-phenyl-2-(1H-triazin-2-ylsulfanyl)acetamide (CID 87343906) is 2-phenyl-2-(1H-triazin-2-ylsulfanyl)acetamide.
What is the SMILES notation for 2-phenyl-2-(1H-triazin-2-ylsulfanyl)acetamide?
The canonical SMILES for 2-phenyl-2-(1H-triazin-2-ylsulfanyl)acetamide is NC(=O)C(SN1N=CC=CN1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(1H-triazin-2-ylsulfanyl)acetamide?
The InChIKey is LMVFIOZOODPVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c12-11(16)10(9-5-2-1-3-6-9)17-15-13-7-4-8-14-15/h1-8,10,13H,(H2,12,16).
What are the key properties of 2-phenyl-2-(1H-triazin-2-ylsulfanyl)acetamide?
2-phenyl-2-(1H-triazin-2-ylsulfanyl)acetamide has a molecular weight of 248.31 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(1H-triazin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 87343906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).