N-(4-methyl-1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxamide

C12H10N4OS — CID 112691395

IUPACN-(4-methyl-1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxamide
SMILESCc1cn[nH]c1NC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C12H10N4OS/c1-7-5-14-16-11(7)15-12(17)8-2-3-9-10(4-8)18-6-13-9/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyJTCGZQHBSAWMDI-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.58
Rot. Bonds2

About N-(4-methyl-1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxamide

N-(4-methyl-1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 112691395) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is N-(4-methyl-1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxamide
PubChem CID112691395
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC NameN-(4-methyl-1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxamide
SMILESCc1cn[nH]c1NC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C12H10N4OS/c1-7-5-14-16-11(7)15-12(17)8-2-3-9-10(4-8)18-6-13-9/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyJTCGZQHBSAWMDI-UHFFFAOYSA-N
XLogP2.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 16546690
N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide
CID 103956522
N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 2488235
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
2,3-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)-1H-indole-5-carboxamide
CID 115630320
N-(4-methyl-1H-pyrazol-5-yl)-3-propoxybenzamide
CID 112691324
N-(4-methyl-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 113236962
3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691434
N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide
CID 7287220
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,3-benzothiazole-6-carboxamide
CID 104817590
N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide
CID 112691143
N-(4-cyanophenyl)-1,3-benzothiazole-6-carboxamide
CID 2092315

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(4-methyl-1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxamide (CID 112691395) is N-(4-methyl-1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(4-methyl-1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(4-methyl-1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxamide is Cc1cn[nH]c1NC(=O)c1ccc2ncsc2c1.
What is the InChIKey of N-(4-methyl-1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is JTCGZQHBSAWMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c1-7-5-14-16-11(7)15-12(17)8-2-3-9-10(4-8)18-6-13-9/h2-6H,1H3,(H2,14,15,16,17).
What are the key properties of N-(4-methyl-1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxamide?
N-(4-methyl-1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 258.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 112691395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).