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

C14H11N5OS — CID 649664

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylpyrazine-2-carboxamide
SMILESCc1nnc(N(C(=O)c2cnccn2)c2ccccc2)s1
InChIInChI=1S/C14H11N5OS/c1-10-17-18-14(21-10)19(11-5-3-2-4-6-11)13(20)12-9-15-7-8-16-12/h2-9H,1H3
InChIKeyWIFZSJOBRSSDAY-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.62
Rot. Bonds3

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

N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylpyrazine-2-carboxamide (PubChem CID 649664) has the molecular formula C14H11N5OS and a molecular weight of 297.34 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylpyrazine-2-carboxamide
PubChem CID649664
Molecular FormulaC14H11N5OS
Molecular Weight297.34 g/mol
Exact Mass297.07
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylpyrazine-2-carboxamide
SMILESCc1nnc(N(C(=O)c2cnccn2)c2ccccc2)s1
InChIInChI=1S/C14H11N5OS/c1-10-17-18-14(21-10)19(11-5-3-2-4-6-11)13(20)12-9-15-7-8-16-12/h2-9H,1H3
InChIKeyWIFZSJOBRSSDAY-UHFFFAOYSA-N
XLogP2.62
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-N-phenylacetamide
CID 1446991
N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide
CID 860501
N-(4-(1H-tetrazol-1-yl)phenyl)-5-methylpyrazine-2-carboxamide
CID 649768
N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 654941
Pyridine-2-carboxylic acid methyl-(5-methyl-[1,3,4]thiadiazol-2-yl)-amide
CID 1447072
Pyrazine-2-carboxylic acid benzyl-(5-methyl-[1,3,4]thiadiazol-2-yl)-amide
CID 647815
Pyridine-2-carboxylic acid methyl-(5-pyrazin-2-yl-[1,3,4]thiadiazol-2-yl)-amide
CID 654102
Pyrazine-2-carboxylic acid methyl-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-amide
CID 650237
Pyridine-2-carboxylic acid methyl-[5-(5-methyl-pyrazin-2-yl)-[1,3,4]thiadiazol-2-yl]-amide
CID 648641
N-[4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide
CID 862123
1-(4-fluorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,2,3-triazole-4-carboxamide
CID 23610494
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide
CID 24506399

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylpyrazine-2-carboxamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylpyrazine-2-carboxamide (CID 649664) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylpyrazine-2-carboxamide is Cc1nnc(N(C(=O)c2cnccn2)c2ccccc2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylpyrazine-2-carboxamide?
The InChIKey is WIFZSJOBRSSDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5OS/c1-10-17-18-14(21-10)19(11-5-3-2-4-6-11)13(20)12-9-15-7-8-16-12/h2-9H,1H3.
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylpyrazine-2-carboxamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylpyrazine-2-carboxamide has a molecular weight of 297.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 649664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).