N-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide

C15H13N5OS — CID 647815

IUPACN-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide
SMILESCc1nnc(N(Cc2ccccc2)C(=O)c2cnccn2)s1
InChIInChI=1S/C15H13N5OS/c1-11-18-19-15(22-11)20(10-12-5-3-2-4-6-12)14(21)13-9-16-7-8-17-13/h2-9H,10H2,1H3
InChIKeyXJORFDQSTBLTBL-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.48
Rot. Bonds4

About N-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide

N-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide (PubChem CID 647815) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is N-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide
PubChem CID647815
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC NameN-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide
SMILESCc1nnc(N(Cc2ccccc2)C(=O)c2cnccn2)s1
InChIInChI=1S/C15H13N5OS/c1-11-18-19-15(22-11)20(10-12-5-3-2-4-6-12)14(21)13-9-16-7-8-17-13/h2-9H,10H2,1H3
InChIKeyXJORFDQSTBLTBL-UHFFFAOYSA-N
XLogP2.48
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of N-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide (CID 647815) is N-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide is Cc1nnc(N(Cc2ccccc2)C(=O)c2cnccn2)s1.
What is the InChIKey of N-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is XJORFDQSTBLTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c1-11-18-19-15(22-11)20(10-12-5-3-2-4-6-12)14(21)13-9-16-7-8-17-13/h2-9H,10H2,1H3.
What are the key properties of N-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide?
N-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 647815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).