N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-N-phenylacetamide

C15H13N5OS — CID 1446991

IUPACN-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nnc(-c2cnc(C)cn2)s1
InChIInChI=1S/C15H13N5OS/c1-10-8-17-13(9-16-10)14-18-19-15(22-14)20(11(2)21)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyASPJMGRASOJFRV-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.99
Rot. Bonds3

About N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-N-phenylacetamide

N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-N-phenylacetamide (PubChem CID 1446991) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-N-phenylacetamide
PubChem CID1446991
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC NameN-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nnc(-c2cnc(C)cn2)s1
InChIInChI=1S/C15H13N5OS/c1-10-8-17-13(9-16-10)14-18-19-15(22-14)20(11(2)21)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyASPJMGRASOJFRV-UHFFFAOYSA-N
XLogP2.99
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-((4-ET-5-(2-Pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(4-fluorophenyl)acetamide
CID 1994361
2-((4-ET-5-(2-Pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-fluorophenyl)acetamide
CID 3851861
2-methoxy-N-methyl-N-[5-(2-pyridinyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 647177
N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenyl-2-pyrazinecarboxamide
CID 649664
N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 654941
2-[(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 974207
1-(4-Phenyl-5-pyrazin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-propan-2-one
CID 1429066
N-Methyl-N-(5-pyridin-2-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1446983
Pyridine-2-carboxylic acid methyl-(5-methyl-[1,3,4]thiadiazol-2-yl)-amide
CID 1447072
N-[4-(dimethylamino)phenyl]-2-{[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 1264934
N,N-diethyl-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 665973
N-(2-Methoxy-ethyl)-N-(5-pyridin-2-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 649578

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-N-phenylacetamide?
The IUPAC name of N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-N-phenylacetamide (CID 1446991) is N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)c1nnc(-c2cnc(C)cn2)s1.
What is the InChIKey of N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-N-phenylacetamide?
The InChIKey is ASPJMGRASOJFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c1-10-8-17-13(9-16-10)14-18-19-15(22-14)20(11(2)21)12-6-4-3-5-7-12/h3-9H,1-2H3.
What are the key properties of N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-N-phenylacetamide?
N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-N-phenylacetamide has a molecular weight of 311.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 1446991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).