(2S)-3-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one

C23H26ClN3O3S — CID 93289293

IUPAC(2S)-3-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccccc1[C@@H]1SCC(=O)N1CCN1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C23H26ClN3O3S/c1-30-20-9-5-3-7-18(20)23-27(21(28)16-31-23)15-12-25-10-13-26(14-11-25)22(29)17-6-2-4-8-19(17)24/h2-9,23H,10-16H2,1H3/t23-/m0/s1
InChIKeyYGSZUKGDOIEAOL-QHCPKHFHSA-N
MW460.00 g/mol
LogP3.38
Rot. Bonds6

About (2S)-3-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one

(2S)-3-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 93289293) has the molecular formula C23H26ClN3O3S and a molecular weight of 460.00 g/mol. Its IUPAC name is (2S)-3-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-3-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID93289293
Molecular FormulaC23H26ClN3O3S
Molecular Weight460.00 g/mol
Exact Mass459.14
IUPAC Name(2S)-3-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccccc1[C@@H]1SCC(=O)N1CCN1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C23H26ClN3O3S/c1-30-20-9-5-3-7-18(20)23-27(21(28)16-31-23)15-12-25-10-13-26(14-11-25)22(29)17-6-2-4-8-19(17)24/h2-9,23H,10-16H2,1H3/t23-/m0/s1
InChIKeyYGSZUKGDOIEAOL-QHCPKHFHSA-N
XLogP3.38
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.00
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-3-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one with MolForge

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Related Compounds

2-(2-methoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 3520509
ethyl 2-[2-[3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetate
CID 23737861
4-[2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 42814748
3-[3-(diethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3871093
3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 42814508
(2-chlorophenyl)-[4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 110399284
(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 742773
2-(2-methoxyphenyl)-3-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-1,3-thiazolidin-4-one
CID 42814998
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 39711237
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone
CID 63308302
3-[2-(4-propanoylpiperazin-1-yl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 42815016
(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 6422948

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-3-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one (CID 93289293) is (2S)-3-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-3-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-3-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one is COc1ccccc1[C@@H]1SCC(=O)N1CCN1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of (2S)-3-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is YGSZUKGDOIEAOL-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H26ClN3O3S/c1-30-20-9-5-3-7-18(20)23-27(21(28)16-31-23)15-12-25-10-13-26(14-11-25)22(29)17-6-2-4-8-19(17)24/h2-9,23H,10-16H2,1H3/t23-/m0/s1.
What are the key properties of (2S)-3-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
(2S)-3-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 460.00 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 93289293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).