2-amino-N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-6-carboxamide

C13H13N5OS — CID 65349670

IUPAC2-amino-N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-6-carboxamide
SMILESCc1cc(NC(=O)c2ccc3nc(N)sc3c2)n(C)n1
InChIInChI=1S/C13H13N5OS/c1-7-5-11(18(2)17-7)16-12(19)8-3-4-9-10(6-8)20-13(14)15-9/h3-6H,1-2H3,(H2,14,15)(H,16,19)
InChIKeyXCUQMGJBQMAOPC-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.17
Rot. Bonds2

About 2-amino-N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-6-carboxamide

2-amino-N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 65349670) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-amino-N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-6-carboxamide
PubChem CID65349670
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name2-amino-N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-6-carboxamide
SMILESCc1cc(NC(=O)c2ccc3nc(N)sc3c2)n(C)n1
InChIInChI=1S/C13H13N5OS/c1-7-5-11(18(2)17-7)16-12(19)8-3-4-9-10(6-8)20-13(14)15-9/h3-6H,1-2H3,(H2,14,15)(H,16,19)
InChIKeyXCUQMGJBQMAOPC-UHFFFAOYSA-N
XLogP2.17
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 65349764
2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60636051
2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 107583466
2-amino-N-pyrimidin-2-yl-1,3-benzothiazole-6-carboxamide
CID 60719150
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-benzothiazole-6-carboxamide
CID 104618861
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
N-(2-amino-1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 19894896
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
CID 79195134
2-amino-N-(6-fluoro-2-pyridinyl)-1,3-benzothiazole-6-carboxamide
CID 116813293
2-amino-N-(3-chloro-2-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60635946
2-amino-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 110451327

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-6-carboxamide (CID 65349670) is 2-amino-N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-6-carboxamide is Cc1cc(NC(=O)c2ccc3nc(N)sc3c2)n(C)n1.
What is the InChIKey of 2-amino-N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is XCUQMGJBQMAOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-7-5-11(18(2)17-7)16-12(19)8-3-4-9-10(6-8)20-13(14)15-9/h3-6H,1-2H3,(H2,14,15)(H,16,19).
What are the key properties of 2-amino-N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 287.35 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 65349670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).