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

C12H9ClN4OS — CID 19479289

IUPAC4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc2nc(NC(=O)c3[nH]ncc3Cl)sc2c1
InChIInChI=1S/C12H9ClN4OS/c1-6-2-3-8-9(4-6)19-12(15-8)16-11(18)10-7(13)5-14-17-10/h2-5H,1H3,(H,14,17)(H,15,16,18)
InChIKeyWHUJTLQXPFEUPP-UHFFFAOYSA-N
MW292.75 g/mol
LogP3.23
Rot. Bonds2

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

4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 19479289) has the molecular formula C12H9ClN4OS and a molecular weight of 292.75 g/mol. Its IUPAC name is 4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID19479289
Molecular FormulaC12H9ClN4OS
Molecular Weight292.75 g/mol
Exact Mass292.02
IUPAC Name4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc2nc(NC(=O)c3[nH]ncc3Cl)sc2c1
InChIInChI=1S/C12H9ClN4OS/c1-6-2-3-8-9(4-6)19-12(15-8)16-11(18)10-7(13)5-14-17-10/h2-5H,1H3,(H,14,17)(H,15,16,18)
InChIKeyWHUJTLQXPFEUPP-UHFFFAOYSA-N
XLogP3.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide
CID 19475855
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
6-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 31809959
3-bromo-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 107951417
N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide
CID 106860352
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 3809613
2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 79765196
3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983210
5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 887647
3-acetamido-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 46484893

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide (CID 19479289) is 4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide is Cc1ccc2nc(NC(=O)c3[nH]ncc3Cl)sc2c1.
What is the InChIKey of 4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is WHUJTLQXPFEUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4OS/c1-6-2-3-8-9(4-6)19-12(15-8)16-11(18)10-7(13)5-14-17-10/h2-5H,1H3,(H,14,17)(H,15,16,18).
What are the key properties of 4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide?
4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 292.75 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19479289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).