(4-chlorophenyl)-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone

C21H20ClN3OS — CID 45076516

IUPAC(4-chlorophenyl)-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2csc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)n2)cc1
InChIInChI=1S/C21H20ClN3OS/c1-15-2-4-16(5-3-15)19-14-27-21(23-19)25-12-10-24(11-13-25)20(26)17-6-8-18(22)9-7-17/h2-9,14H,10-13H2,1H3
InChIKeySFCCVAHECXDYCF-UHFFFAOYSA-N
MW397.93 g/mol
LogP4.73
Rot. Bonds3

About (4-chlorophenyl)-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone

(4-chlorophenyl)-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone (PubChem CID 45076516) has the molecular formula C21H20ClN3OS and a molecular weight of 397.93 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
PubChem CID45076516
Molecular FormulaC21H20ClN3OS
Molecular Weight397.93 g/mol
Exact Mass397.10
IUPAC Name(4-chlorophenyl)-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2csc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)n2)cc1
InChIInChI=1S/C21H20ClN3OS/c1-15-2-4-16(5-3-15)19-14-27-21(23-19)25-12-10-24(11-13-25)20(26)17-6-8-18(22)9-7-17/h2-9,14H,10-13H2,1H3
InChIKeySFCCVAHECXDYCF-UHFFFAOYSA-N
XLogP4.73
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-chlorophenyl)-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone 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

1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 126758633
(3,4-difluorophenyl)-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 1447469
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 53037588
methyl 4-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazine-1-carbonyl]benzoate
CID 71811056
N-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide
CID 1447486
(3,4-dimethoxyphenyl)-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 133371022
1-[4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 46907737
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide
CID 3223722
4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid
CID 58256899
[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(4-methylphenyl)methanone
CID 2747131
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 113080335
ethyl 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 676265

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone (CID 45076516) is (4-chlorophenyl)-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone is Cc1ccc(-c2csc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)n2)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The InChIKey is SFCCVAHECXDYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3OS/c1-15-2-4-16(5-3-15)19-14-27-21(23-19)25-12-10-24(11-13-25)20(26)17-6-8-18(22)9-7-17/h2-9,14H,10-13H2,1H3.
What are the key properties of (4-chlorophenyl)-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
(4-chlorophenyl)-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone has a molecular weight of 397.93 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 45076516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).