3,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide

C19H20N4OS — CID 4783714

IUPAC3,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C19H20N4OS/c1-12-17(13(2)23(22-12)14-8-4-3-5-9-14)18(24)21-19-20-15-10-6-7-11-16(15)25-19/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,20,21,24)
InChIKeyZPNQUCAMZYZKAP-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.08
Rot. Bonds3

About 3,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide

3,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 4783714) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 3,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
PubChem CID4783714
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name3,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C19H20N4OS/c1-12-17(13(2)23(22-12)14-8-4-3-5-9-14)18(24)21-19-20-15-10-6-7-11-16(15)25-19/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,20,21,24)
InChIKeyZPNQUCAMZYZKAP-UHFFFAOYSA-N
XLogP4.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,4E)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-4-methyl-5-phenyl-penta-2,4-dien-1-one
CID 5466653
1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-3-phenyl-2-propen-1-one
CID 5884626
N-(1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
CID 2118565
N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 2354013
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
CID 2439795
5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid (4-p-tolyl-thiazol-2-yl)-amide
CID 3205842
1-(2-fluorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 32069800
N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 155527836
N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-4-carboxamide;dihydrochloride
CID 155549146
4-Methyl-2-(3-phenyl-acryloylamino)-thiazole-5-carboxylic acid phenylamide
CID 1468095
3-methyl-N-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]-1-phenylthieno[2,3-c]pyrazole-5-carboxamide
CID 1468101
N-(benzo[d]thiazol-2-yl)-5-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazole-4-carboxamide
CID 136081195

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide (CID 4783714) is 3,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 3,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is ZPNQUCAMZYZKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-12-17(13(2)23(22-12)14-8-4-3-5-9-14)18(24)21-19-20-15-10-6-7-11-16(15)25-19/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,20,21,24).
What are the key properties of 3,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide?
3,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 4783714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).