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

C13H12N4OS — CID 47293501

IUPAC5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3c(C)cccc3s2)n[nH]1
InChIInChI=1S/C13H12N4OS/c1-7-4-3-5-10-11(7)14-13(19-10)15-12(18)9-6-8(2)16-17-9/h3-6H,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyJVCVMXHPVUVNNE-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.89
Rot. Bonds2

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

5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 47293501) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID47293501
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3c(C)cccc3s2)n[nH]1
InChIInChI=1S/C13H12N4OS/c1-7-4-3-5-10-11(7)14-13(19-10)15-12(18)9-6-8(2)16-17-9/h3-6H,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyJVCVMXHPVUVNNE-UHFFFAOYSA-N
XLogP2.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126545
4-bromo-N-(4-methyl-1,3-benzothiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564360
N-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 8840391
3-amino-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
CID 18138512
2-benzamido-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 16914998
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18276009
4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 974126
N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7266872
N-(4-methyl-1,3-benzothiazol-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 9022865
5-(difluoromethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 134711901
3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 12646557
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 110484281

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide (CID 47293501) is 5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2nc3c(C)cccc3s2)n[nH]1.
What is the InChIKey of 5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is JVCVMXHPVUVNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-7-4-3-5-10-11(7)14-13(19-10)15-12(18)9-6-8(2)16-17-9/h3-6H,1-2H3,(H,16,17)(H,14,15,18).
What are the key properties of 5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide?
5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47293501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).