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

C14H11N5OS — CID 860501

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1nnc(Cc2ccccc2)s1)c1cnccn1
InChIInChI=1S/C14H11N5OS/c20-13(11-9-15-6-7-16-11)17-14-19-18-12(21-14)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,19,20)
InChIKeyJSMKPENZSFXFGT-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.17
Rot. Bonds4

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

N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide (PubChem CID 860501) has the molecular formula C14H11N5OS and a molecular weight of 297.34 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide
PubChem CID860501
Molecular FormulaC14H11N5OS
Molecular Weight297.34 g/mol
Exact Mass297.07
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1nnc(Cc2ccccc2)s1)c1cnccn1
InChIInChI=1S/C14H11N5OS/c20-13(11-9-15-6-7-16-11)17-14-19-18-12(21-14)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,19,20)
InChIKeyJSMKPENZSFXFGT-UHFFFAOYSA-N
XLogP2.17
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 18200258
N-(2-benzylphenyl)pyrazine-2-carboxamide
CID 1247505
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide
CID 30581878
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-5-bromopyridine-3-carboxamide
CID 18075084
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18229691
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 741030
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
[4-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]carbamic acid
CID 68739824
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide
CID 82176848
N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide
CID 794578
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-fluorobenzamide
CID 18075087
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-iodobenzamide
CID 38903577

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide (CID 860501) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide is O=C(Nc1nnc(Cc2ccccc2)s1)c1cnccn1.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is JSMKPENZSFXFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5OS/c20-13(11-9-15-6-7-16-11)17-14-19-18-12(21-14)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,19,20).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 297.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 860501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).