5-chloro-3-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide

C19H19ClN4OS — CID 18225928

IUPAC5-chloro-3-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1nc2c(s1)CC(C)CC2
InChIInChI=1S/C19H19ClN4OS/c1-11-8-9-14-15(10-11)26-19(21-14)22-18(25)16-12(2)23-24(17(16)20)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3,(H,21,22,25)
InChIKeyRQBYJXBEVUPJJG-UHFFFAOYSA-N
MW386.91 g/mol
LogP4.67
Rot. Bonds3

About 5-chloro-3-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide

5-chloro-3-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 18225928) has the molecular formula C19H19ClN4OS and a molecular weight of 386.91 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-3-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID18225928
Molecular FormulaC19H19ClN4OS
Molecular Weight386.91 g/mol
Exact Mass386.10
IUPAC Name5-chloro-3-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1nc2c(s1)CC(C)CC2
InChIInChI=1S/C19H19ClN4OS/c1-11-8-9-14-15(10-11)26-19(21-14)22-18(25)16-12(2)23-24(17(16)20)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3,(H,21,22,25)
InChIKeyRQBYJXBEVUPJJG-UHFFFAOYSA-N
XLogP4.67
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
CID 18270741
3-methyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 2316216
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5132842
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 56809268
2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 87543850
N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 976760
4-(5-methylpyrazol-1-yl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 32573806
6-chloro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 17168198
5-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 16953633
N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1-oxidopyridin-1-ium-2-carboxamide
CID 94115507
4-fluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3621249
4-bromo-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 7064945

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-3-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide (CID 18225928) is 5-chloro-3-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-3-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-3-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1nc2c(s1)CC(C)CC2.
What is the InChIKey of 5-chloro-3-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is RQBYJXBEVUPJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4OS/c1-11-8-9-14-15(10-11)26-19(21-14)22-18(25)16-12(2)23-24(17(16)20)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3,(H,21,22,25).
What are the key properties of 5-chloro-3-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide?
5-chloro-3-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 386.91 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 18225928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).