3-(2-chlorophenyl)-4-(1,3-thiazole-4-carbonyl)piperazin-2-one

C14H12ClN3O2S — CID 75503471

IUPAC3-(2-chlorophenyl)-4-(1,3-thiazole-4-carbonyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)c2cscn2)C1c1ccccc1Cl
InChIInChI=1S/C14H12ClN3O2S/c15-10-4-2-1-3-9(10)12-13(19)16-5-6-18(12)14(20)11-7-21-8-17-11/h1-4,7-8,12H,5-6H2,(H,16,19)
InChIKeySIDAOOHDVQGNSU-UHFFFAOYSA-N
MW321.79 g/mol
LogP2.11
Rot. Bonds2

About 3-(2-chlorophenyl)-4-(1,3-thiazole-4-carbonyl)piperazin-2-one

3-(2-chlorophenyl)-4-(1,3-thiazole-4-carbonyl)piperazin-2-one (PubChem CID 75503471) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-(1,3-thiazole-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-(1,3-thiazole-4-carbonyl)piperazin-2-one
PubChem CID75503471
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC Name3-(2-chlorophenyl)-4-(1,3-thiazole-4-carbonyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)c2cscn2)C1c1ccccc1Cl
InChIInChI=1S/C14H12ClN3O2S/c15-10-4-2-1-3-9(10)12-13(19)16-5-6-18(12)14(20)11-7-21-8-17-11/h1-4,7-8,12H,5-6H2,(H,16,19)
InChIKeySIDAOOHDVQGNSU-UHFFFAOYSA-N
XLogP2.11
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-chlorophenyl)-4-(1,3-thiazole-4-carbonyl)piperazin-2-one 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

3-(2-chlorophenyl)-4-(pyridine-4-carbonyl)piperazin-2-one
CID 75503479
3-(2-chlorophenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
CID 110657333
(3R)-3-(2-chlorophenyl)-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one
CID 99628590
3-(2-chlorophenyl)-4-(furan-3-carbonyl)piperazin-2-one
CID 75520617
3-(2-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one
CID 110657344
3-(2-chlorophenyl)-4-[2-(oxan-4-yl)-1,3-oxazole-4-carbonyl]piperazin-2-one
CID 102561958
4-butanoyl-3-(2-chlorophenyl)piperazin-2-one
CID 110657325
3-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-2-methyl-3-oxopropanoic acid
CID 122066378
3-(2-chlorophenyl)-4-(4-piperidin-1-ylsulfonylbenzoyl)piperazin-2-one
CID 110657373
3-(2-chlorophenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one
CID 75477067
3-(2-chlorophenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one
CID 86788537
(3S)-4-(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-3-(2-chlorophenyl)piperazin-2-one
CID 97351154

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-(1,3-thiazole-4-carbonyl)piperazin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-4-(1,3-thiazole-4-carbonyl)piperazin-2-one (CID 75503471) is 3-(2-chlorophenyl)-4-(1,3-thiazole-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-4-(1,3-thiazole-4-carbonyl)piperazin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-4-(1,3-thiazole-4-carbonyl)piperazin-2-one is O=C1NCCN(C(=O)c2cscn2)C1c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-4-(1,3-thiazole-4-carbonyl)piperazin-2-one?
The InChIKey is SIDAOOHDVQGNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c15-10-4-2-1-3-9(10)12-13(19)16-5-6-18(12)14(20)11-7-21-8-17-11/h1-4,7-8,12H,5-6H2,(H,16,19).
What are the key properties of 3-(2-chlorophenyl)-4-(1,3-thiazole-4-carbonyl)piperazin-2-one?
3-(2-chlorophenyl)-4-(1,3-thiazole-4-carbonyl)piperazin-2-one has a molecular weight of 321.79 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-(1,3-thiazole-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 75503471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).