3-amino-N-(6-ethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide

C14H13N5OS — CID 18138498

IUPAC3-amino-N-(6-ethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
SMILESCCc1ccc2nc(NC(=O)c3nccnc3N)sc2c1
InChIInChI=1S/C14H13N5OS/c1-2-8-3-4-9-10(7-8)21-14(18-9)19-13(20)11-12(15)17-6-5-16-11/h3-7H,2H2,1H3,(H2,15,17)(H,18,19,20)
InChIKeyOBXPADHFQFWKIV-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.48
Rot. Bonds3

About 3-amino-N-(6-ethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide

3-amino-N-(6-ethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide (PubChem CID 18138498) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 3-amino-N-(6-ethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(6-ethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
PubChem CID18138498
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name3-amino-N-(6-ethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
SMILESCCc1ccc2nc(NC(=O)c3nccnc3N)sc2c1
InChIInChI=1S/C14H13N5OS/c1-2-8-3-4-9-10(7-8)21-14(18-9)19-13(20)11-12(15)17-6-5-16-11/h3-7H,2H2,1H3,(H2,15,17)(H,18,19,20)
InChIKeyOBXPADHFQFWKIV-UHFFFAOYSA-N
XLogP2.48
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-({12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)acetamide
CID 20823995
N-{6-[2-(Methylsulfanyl)pyrimidin-4-Yl]-1,3-Benzothiazol-2-Yl}acetamide
CID 25183031
N-[6-(Pyridin-3-Yl)-1,3-Benzothiazol-2-Yl]acetamide
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N-[Benzo[d]thiazol-2-yl]nicotinamide
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N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
CID 2486876
2-Amino-benzothiazole-6-carboxylic acid (3-methyl-pyridin-2-yl)-amide
CID 652148
N-(1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
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CID 650200
N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2444453
2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 9114840
2-(6-Methylaminopyridin-3-yl)benzothiazole-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-ethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(6-ethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide (CID 18138498) is 3-amino-N-(6-ethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(6-ethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(6-ethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide is CCc1ccc2nc(NC(=O)c3nccnc3N)sc2c1.
What is the InChIKey of 3-amino-N-(6-ethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is OBXPADHFQFWKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-2-8-3-4-9-10(7-8)21-14(18-9)19-13(20)11-12(15)17-6-5-16-11/h3-7H,2H2,1H3,(H2,15,17)(H,18,19,20).
What are the key properties of 3-amino-N-(6-ethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-(6-ethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(6-ethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 18138498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).