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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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).