2-amino-N-pyrazin-2-yl-1,3-benzothiazole-6-carboxamide

C12H9N5OS — CID 65349486

IUPAC2-amino-N-pyrazin-2-yl-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)Nc3cnccn3)cc2s1
InChIInChI=1S/C12H9N5OS/c13-12-16-8-2-1-7(5-9(8)19-12)11(18)17-10-6-14-3-4-15-10/h1-6H,(H2,13,16)(H,15,17,18)
InChIKeyRLSNQFZFURIXSQ-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.92
Rot. Bonds2

About 2-amino-N-pyrazin-2-yl-1,3-benzothiazole-6-carboxamide

2-amino-N-pyrazin-2-yl-1,3-benzothiazole-6-carboxamide (PubChem CID 65349486) has the molecular formula C12H9N5OS and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-amino-N-pyrazin-2-yl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-pyrazin-2-yl-1,3-benzothiazole-6-carboxamide
PubChem CID65349486
Molecular FormulaC12H9N5OS
Molecular Weight271.31 g/mol
Exact Mass271.05
IUPAC Name2-amino-N-pyrazin-2-yl-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)Nc3cnccn3)cc2s1
InChIInChI=1S/C12H9N5OS/c13-12-16-8-2-1-7(5-9(8)19-12)11(18)17-10-6-14-3-4-15-10/h1-6H,(H2,13,16)(H,15,17,18)
InChIKeyRLSNQFZFURIXSQ-UHFFFAOYSA-N
XLogP1.92
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-pyrimidin-2-yl-1,3-benzothiazole-6-carboxamide
CID 60719150
2-amino-N-(6-fluoro-2-pyridinyl)-1,3-benzothiazole-6-carboxamide
CID 116813293
4-amino-N-pyrazin-2-ylbenzamide
CID 43616023
2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60636089
2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60635776
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
CID 79195134
2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60636051
2-amino-N-(4-sulfamoylphenyl)-1,3-benzothiazole-6-carboxamide
CID 110451808
2-amino-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 65349764
2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 107583466
2-amino-N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-6-carboxamide
CID 65349670
2-amino-N-(4-nitrophenyl)-1,3-benzothiazole-6-carboxamide
CID 110451284

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-pyrazin-2-yl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-pyrazin-2-yl-1,3-benzothiazole-6-carboxamide (CID 65349486) is 2-amino-N-pyrazin-2-yl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-pyrazin-2-yl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-pyrazin-2-yl-1,3-benzothiazole-6-carboxamide is Nc1nc2ccc(C(=O)Nc3cnccn3)cc2s1.
What is the InChIKey of 2-amino-N-pyrazin-2-yl-1,3-benzothiazole-6-carboxamide?
The InChIKey is RLSNQFZFURIXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5OS/c13-12-16-8-2-1-7(5-9(8)19-12)11(18)17-10-6-14-3-4-15-10/h1-6H,(H2,13,16)(H,15,17,18).
What are the key properties of 2-amino-N-pyrazin-2-yl-1,3-benzothiazole-6-carboxamide?
2-amino-N-pyrazin-2-yl-1,3-benzothiazole-6-carboxamide has a molecular weight of 271.31 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-pyrazin-2-yl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 65349486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).