4-chloro-1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide

C13H11ClN4OS — CID 19475855

IUPAC4-chloro-1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide
SMILESCc1ccc2nc(NC(=O)c3c(Cl)cnn3C)sc2c1
InChIInChI=1S/C13H11ClN4OS/c1-7-3-4-9-10(5-7)20-13(16-9)17-12(19)11-8(14)6-15-18(11)2/h3-6H,1-2H3,(H,16,17,19)
InChIKeyPBYQKFFPIPNAPE-UHFFFAOYSA-N
MW306.78 g/mol
LogP3.24
Rot. Bonds2

About 4-chloro-1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide

4-chloro-1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide (PubChem CID 19475855) has the molecular formula C13H11ClN4OS and a molecular weight of 306.78 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide
PubChem CID19475855
Molecular FormulaC13H11ClN4OS
Molecular Weight306.78 g/mol
Exact Mass306.03
IUPAC Name4-chloro-1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide
SMILESCc1ccc2nc(NC(=O)c3c(Cl)cnn3C)sc2c1
InChIInChI=1S/C13H11ClN4OS/c1-7-3-4-9-10(5-7)20-13(16-9)17-12(19)11-8(14)6-15-18(11)2/h3-6H,1-2H3,(H,16,17,19)
InChIKeyPBYQKFFPIPNAPE-UHFFFAOYSA-N
XLogP3.24
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-6-yl]-1-methylpyrazole-5-carboxamide
CID 3135661
3-(4-chloro-5-methylpyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 19552362
4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 19479289
4-bromo-1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide
CID 19476680
2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2701477
6-amino-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 62151807
2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
CID 4652334
2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103687616
4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylpyrazole-5-carboxamide
CID 65355459
6-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 31809959
2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 43952298
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 3809613

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide (CID 19475855) is 4-chloro-1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide is Cc1ccc2nc(NC(=O)c3c(Cl)cnn3C)sc2c1.
What is the InChIKey of 4-chloro-1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide?
The InChIKey is PBYQKFFPIPNAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4OS/c1-7-3-4-9-10(5-7)20-13(16-9)17-12(19)11-8(14)6-15-18(11)2/h3-6H,1-2H3,(H,16,17,19).
What are the key properties of 4-chloro-1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide?
4-chloro-1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide has a molecular weight of 306.78 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 19475855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).