5-chloro-N-(thiatriazol-5-yl)pyrazine-2-carboxamide

C6H3ClN6OS — CID 107372217

IUPAC5-chloro-N-(thiatriazol-5-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1nnns1)c1cnc(Cl)cn1
InChIInChI=1S/C6H3ClN6OS/c7-4-2-8-3(1-9-4)5(14)10-6-11-12-13-15-6/h1-2H,(H,10,11,13,14)
InChIKeyXWZPXVRCUPMRSQ-UHFFFAOYSA-N
MW242.65 g/mol
LogP0.63
Rot. Bonds2

About 5-chloro-N-(thiatriazol-5-yl)pyrazine-2-carboxamide

5-chloro-N-(thiatriazol-5-yl)pyrazine-2-carboxamide (PubChem CID 107372217) has the molecular formula C6H3ClN6OS and a molecular weight of 242.65 g/mol. Its IUPAC name is 5-chloro-N-(thiatriazol-5-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(thiatriazol-5-yl)pyrazine-2-carboxamide
PubChem CID107372217
Molecular FormulaC6H3ClN6OS
Molecular Weight242.65 g/mol
Exact Mass241.98
IUPAC Name5-chloro-N-(thiatriazol-5-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1nnns1)c1cnc(Cl)cn1
InChIInChI=1S/C6H3ClN6OS/c7-4-2-8-3(1-9-4)5(14)10-6-11-12-13-15-6/h1-2H,(H,10,11,13,14)
InChIKeyXWZPXVRCUPMRSQ-UHFFFAOYSA-N
XLogP0.63
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.65
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(thiatriazol-5-ylcarbamoyl)pyridine-3-carboxylic acid
CID 114913629
4-chloro-N-(thiatriazol-5-yl)pyridine-3-carboxamide
CID 114912098
N-[4-(carbamoylamino)phenyl]-5-chloropyrazine-2-carboxamide
CID 103817085
N-(1,3-benzothiazol-2-yl)-5-chloropyrazine-2-carboxamide
CID 113264920
5-chloro-N-(3,5-dichloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 107573378
5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
CID 107241316
N-(2-amino-2-oxoethyl)-5-chloropyrazine-2-carboxamide
CID 107243491
5-chloro-N-(2,4,5-trichlorophenyl)pyrazine-2-carboxamide
CID 107371747
3-chloro-4-iodo-N-(thiatriazol-5-yl)benzamide
CID 103222246
6-amino-3-chloro-N-(thiatriazol-5-yl)pyridine-2-carboxamide
CID 114914322
N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide
CID 107372160
5-[(5-chloropyrazine-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 107371456

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(thiatriazol-5-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(thiatriazol-5-yl)pyrazine-2-carboxamide (CID 107372217) is 5-chloro-N-(thiatriazol-5-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(thiatriazol-5-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(thiatriazol-5-yl)pyrazine-2-carboxamide is O=C(Nc1nnns1)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(thiatriazol-5-yl)pyrazine-2-carboxamide?
The InChIKey is XWZPXVRCUPMRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN6OS/c7-4-2-8-3(1-9-4)5(14)10-6-11-12-13-15-6/h1-2H,(H,10,11,13,14).
What are the key properties of 5-chloro-N-(thiatriazol-5-yl)pyrazine-2-carboxamide?
5-chloro-N-(thiatriazol-5-yl)pyrazine-2-carboxamide has a molecular weight of 242.65 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(thiatriazol-5-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 107372217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).