N-(1,3-benzothiazol-2-ylmethyl)-N,5-dimethyl-1-(2-methylphenyl)pyrazole-4-carboxamide

C21H20N4OS — CID 55615619

IUPACN-(1,3-benzothiazol-2-ylmethyl)-N,5-dimethyl-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)N(C)Cc2nc3ccccc3s2)c1C
InChIInChI=1S/C21H20N4OS/c1-14-8-4-6-10-18(14)25-15(2)16(12-22-25)21(26)24(3)13-20-23-17-9-5-7-11-19(17)27-20/h4-12H,13H2,1-3H3
InChIKeyCALWZQJSBMDSHE-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.37
Rot. Bonds4

About N-(1,3-benzothiazol-2-ylmethyl)-N,5-dimethyl-1-(2-methylphenyl)pyrazole-4-carboxamide

N-(1,3-benzothiazol-2-ylmethyl)-N,5-dimethyl-1-(2-methylphenyl)pyrazole-4-carboxamide (PubChem CID 55615619) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-N,5-dimethyl-1-(2-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-N,5-dimethyl-1-(2-methylphenyl)pyrazole-4-carboxamide
PubChem CID55615619
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-N,5-dimethyl-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)N(C)Cc2nc3ccccc3s2)c1C
InChIInChI=1S/C21H20N4OS/c1-14-8-4-6-10-18(14)25-15(2)16(12-22-25)21(26)24(3)13-20-23-17-9-5-7-11-19(17)27-20/h4-12H,13H2,1-3H3
InChIKeyCALWZQJSBMDSHE-UHFFFAOYSA-N
XLogP4.37
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 18117599
N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-N-methylpyridine-3-carboxamide
CID 103752006
N-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N,5-dimethylthiophene-2-carboxamide
CID 9393068
N-(1,3-benzothiazol-2-ylmethyl)-4-benzoyl-N-methylbenzamide
CID 18117572
N-(1,3-benzothiazol-2-ylmethyl)-2,6-difluoro-N-methylbenzamide
CID 16606856
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 18117640
[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 55605606
5-acetamido-N-(1,3-benzothiazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 24611300
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 60787815
2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 62793434
1-(1,3-benzothiazol-2-ylmethyl)-3-ethyl-1-methylurea
CID 47128028
N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-fluoro-N-methylbenzamide
CID 41440557

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N,5-dimethyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N,5-dimethyl-1-(2-methylphenyl)pyrazole-4-carboxamide (CID 55615619) is N-(1,3-benzothiazol-2-ylmethyl)-N,5-dimethyl-1-(2-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-N,5-dimethyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-N,5-dimethyl-1-(2-methylphenyl)pyrazole-4-carboxamide is Cc1ccccc1-n1ncc(C(=O)N(C)Cc2nc3ccccc3s2)c1C.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-N,5-dimethyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is CALWZQJSBMDSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-14-8-4-6-10-18(14)25-15(2)16(12-22-25)21(26)24(3)13-20-23-17-9-5-7-11-19(17)27-20/h4-12H,13H2,1-3H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-N,5-dimethyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-N,5-dimethyl-1-(2-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 376.49 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-N,5-dimethyl-1-(2-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55615619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).