4-chloro-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide

C22H21ClN4O2S — CID 18567922

IUPAC4-chloro-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(CC(=O)N2CCN(c3ccccc3)CC2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN4O2S/c23-17-8-6-16(7-9-17)21(29)25-22-24-18(15-30-22)14-20(28)27-12-10-26(11-13-27)19-4-2-1-3-5-19/h1-9,15H,10-14H2,(H,24,25,29)
InChIKeyFBSMXCJLBLNYPO-UHFFFAOYSA-N
MW440.96 g/mol
LogP3.94
Rot. Bonds5

About 4-chloro-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide

4-chloro-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 18567922) has the molecular formula C22H21ClN4O2S and a molecular weight of 440.96 g/mol. Its IUPAC name is 4-chloro-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID18567922
Molecular FormulaC22H21ClN4O2S
Molecular Weight440.96 g/mol
Exact Mass440.11
IUPAC Name4-chloro-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(CC(=O)N2CCN(c3ccccc3)CC2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN4O2S/c23-17-8-6-16(7-9-17)21(29)25-22-24-18(15-30-22)14-20(28)27-12-10-26(11-13-27)19-4-2-1-3-5-19/h1-9,15H,10-14H2,(H,24,25,29)
InChIKeyFBSMXCJLBLNYPO-UHFFFAOYSA-N
XLogP3.94
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.96
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide 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

N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41160057
4-chloro-N-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 27443348
4-chloro-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide
CID 41160059
N-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41160022
4-chloro-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 59698895
4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 16915044
N-[4-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 38601875
N-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 16881599
4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide
CID 59698874
N-[1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]benzamide
CID 41483133
4-methoxy-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide
CID 41160062
N-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41160073

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide (CID 18567922) is 4-chloro-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(CC(=O)N2CCN(c3ccccc3)CC2)cs1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is FBSMXCJLBLNYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2S/c23-17-8-6-16(7-9-17)21(29)25-22-24-18(15-30-22)14-20(28)27-12-10-26(11-13-27)19-4-2-1-3-5-19/h1-9,15H,10-14H2,(H,24,25,29).
What are the key properties of 4-chloro-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide?
4-chloro-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 440.96 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 18567922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).