N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide

C13H10N6OS — CID 82176848

IUPACN-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide
SMILESNc1ccc(-c2nnc(NC(=O)c3cnccn3)s2)cc1
InChIInChI=1S/C13H10N6OS/c14-9-3-1-8(2-4-9)12-18-19-13(21-12)17-11(20)10-7-15-5-6-16-10/h1-7H,14H2,(H,17,19,20)
InChIKeyYZMCCBZVANFMGZ-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.83
Rot. Bonds3

About N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide

N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide (PubChem CID 82176848) has the molecular formula C13H10N6OS and a molecular weight of 298.33 g/mol. Its IUPAC name is N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide
PubChem CID82176848
Molecular FormulaC13H10N6OS
Molecular Weight298.33 g/mol
Exact Mass298.06
IUPAC NameN-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide
SMILESNc1ccc(-c2nnc(NC(=O)c3cnccn3)s2)cc1
InChIInChI=1S/C13H10N6OS/c14-9-3-1-8(2-4-9)12-18-19-13(21-12)17-11(20)10-7-15-5-6-16-10/h1-7H,14H2,(H,17,19,20)
InChIKeyYZMCCBZVANFMGZ-UHFFFAOYSA-N
XLogP1.83
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)pyrazine-2-carboxamide
CID 16775114
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 82176843
N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide
CID 860501
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 82176851
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 82176853
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 82176854
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide
CID 82176847
N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 110443762
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]-2-ethylbutanamide
CID 82176839
N-(2-amino-4-chlorophenyl)pyrazine-2-carboxamide
CID 16777409
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 71788477
N-(4-amino-2,6-dichlorophenyl)pyrazine-2-carboxamide
CID 16770775

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide (CID 82176848) is N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide is Nc1ccc(-c2nnc(NC(=O)c3cnccn3)s2)cc1.
What is the InChIKey of N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide?
The InChIKey is YZMCCBZVANFMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6OS/c14-9-3-1-8(2-4-9)12-18-19-13(21-12)17-11(20)10-7-15-5-6-16-10/h1-7H,14H2,(H,17,19,20).
What are the key properties of N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide?
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide has a molecular weight of 298.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 82176848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).