2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(3-chloro-2-methylphenyl)acetamide

C24H23ClN4OS — CID 46265381

IUPAC2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1nn(-c2nc(CC(=O)Nc3cccc(Cl)c3C)cs2)c(C)c1Cc1ccccc1
InChIInChI=1S/C24H23ClN4OS/c1-15-21(25)10-7-11-22(15)27-23(30)13-19-14-31-24(26-19)29-17(3)20(16(2)28-29)12-18-8-5-4-6-9-18/h4-11,14H,12-13H2,1-3H3,(H,27,30)
InChIKeyJGTVRBDWWUSJHI-UHFFFAOYSA-N
MW451.00 g/mol
LogP5.68
Rot. Bonds6

About 2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(3-chloro-2-methylphenyl)acetamide

2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(3-chloro-2-methylphenyl)acetamide (PubChem CID 46265381) has the molecular formula C24H23ClN4OS and a molecular weight of 451.00 g/mol. Its IUPAC name is 2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(3-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(3-chloro-2-methylphenyl)acetamide
PubChem CID46265381
Molecular FormulaC24H23ClN4OS
Molecular Weight451.00 g/mol
Exact Mass450.13
IUPAC Name2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1nn(-c2nc(CC(=O)Nc3cccc(Cl)c3C)cs2)c(C)c1Cc1ccccc1
InChIInChI=1S/C24H23ClN4OS/c1-15-21(25)10-7-11-22(15)27-23(30)13-19-14-31-24(26-19)29-17(3)20(16(2)28-29)12-18-8-5-4-6-9-18/h4-11,14H,12-13H2,1-3H3,(H,27,30)
InChIKeyJGTVRBDWWUSJHI-UHFFFAOYSA-N
XLogP5.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.00
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-phenylacetamide
CID 50746050
2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 46265433
2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 46265366
2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 46265369
N-(2-methoxyphenyl)-2-[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 46265469
N-(2-chlorophenyl)-2-[2-[3,5-dimethyl-4-(3-methylbutyl)pyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 46265481
N-benzyl-2-[2-[4-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 46265391
N-(2-ethylphenyl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 46269651
2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 50751077
N-(5-chloro-2-methylphenyl)-2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 46265419
2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide
CID 46265421
N-(4-fluorophenyl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 50751083

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(3-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(3-chloro-2-methylphenyl)acetamide (CID 46265381) is 2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(3-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(3-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(3-chloro-2-methylphenyl)acetamide is Cc1nn(-c2nc(CC(=O)Nc3cccc(Cl)c3C)cs2)c(C)c1Cc1ccccc1.
What is the InChIKey of 2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(3-chloro-2-methylphenyl)acetamide?
The InChIKey is JGTVRBDWWUSJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4OS/c1-15-21(25)10-7-11-22(15)27-23(30)13-19-14-31-24(26-19)29-17(3)20(16(2)28-29)12-18-8-5-4-6-9-18/h4-11,14H,12-13H2,1-3H3,(H,27,30).
What are the key properties of 2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(3-chloro-2-methylphenyl)acetamide?
2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(3-chloro-2-methylphenyl)acetamide has a molecular weight of 451.00 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(3-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 46265381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).