4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-oxopiperazine-1-carboxamide

C15H14Cl2N4O2S — CID 162674207

IUPAC4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-oxopiperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)Nc3ncc(Cl)s3)CC2=O)cc1Cl
InChIInChI=1S/C15H14Cl2N4O2S/c1-9-2-3-10(6-11(9)16)21-5-4-20(8-13(21)22)15(23)19-14-18-7-12(17)24-14/h2-3,6-7H,4-5,8H2,1H3,(H,18,19,23)
InChIKeyJMGOSJDLCJAEAB-UHFFFAOYSA-N
MW385.28 g/mol
LogP3.64
Rot. Bonds2

About 4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-oxopiperazine-1-carboxamide

4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-oxopiperazine-1-carboxamide (PubChem CID 162674207) has the molecular formula C15H14Cl2N4O2S and a molecular weight of 385.28 g/mol. Its IUPAC name is 4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-oxopiperazine-1-carboxamide
PubChem CID162674207
Molecular FormulaC15H14Cl2N4O2S
Molecular Weight385.28 g/mol
Exact Mass384.02
IUPAC Name4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-oxopiperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)Nc3ncc(Cl)s3)CC2=O)cc1Cl
InChIInChI=1S/C15H14Cl2N4O2S/c1-9-2-3-10(6-11(9)16)21-5-4-20(8-13(21)22)15(23)19-14-18-7-12(17)24-14/h2-3,6-7H,4-5,8H2,1H3,(H,18,19,23)
InChIKeyJMGOSJDLCJAEAB-UHFFFAOYSA-N
XLogP3.64
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.28
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-oxopiperazine-1-carboxamide 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

4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 162643725
(3R)-3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 162665615
(3S)-3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 162663345
3-(3-chloro-4-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide
CID 162672664
1-(3-chlorophenyl)-4-(4,6-dimethylpyridine-3-carbonyl)piperazin-2-one
CID 70774451
N-(5-methylthiophen-2-yl)-3-oxo-4-phenylpiperazine-1-carboxamide
CID 139004741
4-(2,4-dichlorophenyl)-N-(5-hydroxy-1,3-benzothiazol-2-yl)-3-oxopiperazine-1-carboxamide
CID 143516249
4-(3-chloro-4-methylphenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111875
(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 7438236
(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 7438229
4-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one
CID 70772394
1-(3-chlorophenyl)-4-(1-methylpyrrole-2-carbonyl)piperazin-2-one
CID 70775735

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of 4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-oxopiperazine-1-carboxamide (CID 162674207) is 4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-oxopiperazine-1-carboxamide is Cc1ccc(N2CCN(C(=O)Nc3ncc(Cl)s3)CC2=O)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-oxopiperazine-1-carboxamide?
The InChIKey is JMGOSJDLCJAEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O2S/c1-9-2-3-10(6-11(9)16)21-5-4-20(8-13(21)22)15(23)19-14-18-7-12(17)24-14/h2-3,6-7H,4-5,8H2,1H3,(H,18,19,23).
What are the key properties of 4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-oxopiperazine-1-carboxamide?
4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-oxopiperazine-1-carboxamide has a molecular weight of 385.28 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 162674207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).