N-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide

C13H12N4OS — CID 16952689

IUPACN-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3ccccc3s2)n(C)n1
InChIInChI=1S/C13H12N4OS/c1-8-7-10(17(2)16-8)12(18)15-13-14-9-5-3-4-6-11(9)19-13/h3-7H,1-2H3,(H,14,15,18)
InChIKeyMAIIMJQQOYGWFB-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.59
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide

N-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 16952689) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide
PubChem CID16952689
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3ccccc3s2)n(C)n1
InChIInChI=1S/C13H12N4OS/c1-8-7-10(17(2)16-8)12(18)15-13-14-9-5-3-4-6-11(9)19-13/h3-7H,1-2H3,(H,14,15,18)
InChIKeyMAIIMJQQOYGWFB-UHFFFAOYSA-N
XLogP2.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
CID 71890744
N-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide
CID 110467037
N-(1,3-benzothiazol-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide
CID 11637801
N-(1,3-benzothiazol-2-yl)-1-methylindole-2-carboxamide
CID 52694546
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N-(1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 37019957
N-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide
CID 60582528
2,5-dimethyl-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 19481245
N-(1,3-benzothiazol-2-yl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 1019747
4-amino-N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
CID 65355063
N-(1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55752794
N-(1,3-benzothiazol-2-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51054043

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide (CID 16952689) is N-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2nc3ccccc3s2)n(C)n1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is MAIIMJQQOYGWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-8-7-10(17(2)16-8)12(18)15-13-14-9-5-3-4-6-11(9)19-13/h3-7H,1-2H3,(H,14,15,18).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 16952689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).