2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide

C24H25ClN4O2S — CID 24515634

IUPAC2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)c3csc(-c4ccc(Cl)cc4)n3)CC2)c1C
InChIInChI=1S/C24H25ClN4O2S/c1-16-4-3-5-20(17(16)2)26-22(30)14-28-10-12-29(13-11-28)24(31)21-15-32-23(27-21)18-6-8-19(25)9-7-18/h3-9,15H,10-14H2,1-2H3,(H,26,30)
InChIKeySGZFZQBEOHUHCP-UHFFFAOYSA-N
MW469.01 g/mol
LogP4.48
Rot. Bonds5

About 2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide

2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 24515634) has the molecular formula C24H25ClN4O2S and a molecular weight of 469.01 g/mol. Its IUPAC name is 2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
PubChem CID24515634
Molecular FormulaC24H25ClN4O2S
Molecular Weight469.01 g/mol
Exact Mass468.14
IUPAC Name2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)c3csc(-c4ccc(Cl)cc4)n3)CC2)c1C
InChIInChI=1S/C24H25ClN4O2S/c1-16-4-3-5-20(17(16)2)26-22(30)14-28-10-12-29(13-11-28)24(31)21-15-32-23(27-21)18-6-8-19(25)9-7-18/h3-9,15H,10-14H2,1-2H3,(H,26,30)
InChIKeySGZFZQBEOHUHCP-UHFFFAOYSA-N
XLogP4.48
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.01
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 24547489
N-(2-chlorophenyl)-2-[4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 39440649
N-(2,3-dimethylphenyl)-2-[4-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide
CID 26810920
2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9435125
N-(2,3-dimethylphenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 27859906
N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 27859826
N-(2,3-dimethylphenyl)-2-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 27860207
N-(2,3-dimethylphenyl)-2-[4-(6-oxo-1-propylpyridazine-3-carbonyl)piperazin-1-yl]acetamide
CID 55364389
2-[4-[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55428969
N-(2,3-dimethylphenyl)-2-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 17464926
2-[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
CID 119833689
N-(2,3-dimethylphenyl)-2-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]acetamide
CID 37205967

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide (CID 24515634) is 2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CN2CCN(C(=O)c3csc(-c4ccc(Cl)cc4)n3)CC2)c1C.
What is the InChIKey of 2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is SGZFZQBEOHUHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2S/c1-16-4-3-5-20(17(16)2)26-22(30)14-28-10-12-29(13-11-28)24(31)21-15-32-23(27-21)18-6-8-19(25)9-7-18/h3-9,15H,10-14H2,1-2H3,(H,26,30).
What are the key properties of 2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 469.01 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 24515634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).