N-(1,3-benzothiazol-2-yl)-5-chloropyrazine-2-carboxamide

C12H7ClN4OS — CID 113264920

IUPACN-(1,3-benzothiazol-2-yl)-5-chloropyrazine-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cnc(Cl)cn1
InChIInChI=1S/C12H7ClN4OS/c13-10-6-14-8(5-15-10)11(18)17-12-16-7-3-1-2-4-9(7)19-12/h1-6H,(H,16,17,18)
InChIKeyOFXSNVUYYWPPAI-UHFFFAOYSA-N
MW290.74 g/mol
LogP2.99
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-5-chloropyrazine-2-carboxamide

N-(1,3-benzothiazol-2-yl)-5-chloropyrazine-2-carboxamide (PubChem CID 113264920) has the molecular formula C12H7ClN4OS and a molecular weight of 290.74 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-5-chloropyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-5-chloropyrazine-2-carboxamide
PubChem CID113264920
Molecular FormulaC12H7ClN4OS
Molecular Weight290.74 g/mol
Exact Mass290.00
IUPAC NameN-(1,3-benzothiazol-2-yl)-5-chloropyrazine-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cnc(Cl)cn1
InChIInChI=1S/C12H7ClN4OS/c13-10-6-14-8(5-15-10)11(18)17-12-16-7-3-1-2-4-9(7)19-12/h1-6H,(H,16,17,18)
InChIKeyOFXSNVUYYWPPAI-UHFFFAOYSA-N
XLogP2.99
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.74
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-5-(methylamino)pyridine-2-carboxamide
CID 104639786
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 43558353
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide
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2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide
CID 29284368
(E)-N-(1,3-benzothiazol-2-yl)-3-(6-chloro-3-pyridinyl)prop-2-enamide
CID 75390828
N-(1,3-benzothiazol-2-yl)-5-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]pyridine-2-carboxamide
CID 90126749
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314
5-(1,3-benzothiazol-2-ylamino)pyrazine-2-carboxylic acid
CID 107372297
N-(1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
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N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide
CID 62236744

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-5-chloropyrazine-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-5-chloropyrazine-2-carboxamide (CID 113264920) is N-(1,3-benzothiazol-2-yl)-5-chloropyrazine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-5-chloropyrazine-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-5-chloropyrazine-2-carboxamide is O=C(Nc1nc2ccccc2s1)c1cnc(Cl)cn1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-5-chloropyrazine-2-carboxamide?
The InChIKey is OFXSNVUYYWPPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN4OS/c13-10-6-14-8(5-15-10)11(18)17-12-16-7-3-1-2-4-9(7)19-12/h1-6H,(H,16,17,18).
What are the key properties of N-(1,3-benzothiazol-2-yl)-5-chloropyrazine-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-5-chloropyrazine-2-carboxamide has a molecular weight of 290.74 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-5-chloropyrazine-2-carboxamide is sourced from PubChem (CID 113264920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).