3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one

C20H25Cl2N3O2S — CID 42814715

IUPAC3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one
SMILESCC1SC(c2ccc(Cl)c(Cl)c2)N(CCN2CCN(C(=O)C3CC3)CC2)C1=O
InChIInChI=1S/C20H25Cl2N3O2S/c1-13-18(26)25(20(28-13)15-4-5-16(21)17(22)12-15)11-8-23-6-9-24(10-7-23)19(27)14-2-3-14/h4-5,12-14,20H,2-3,6-11H2,1H3
InChIKeyVYWRGXSCQREWOI-UHFFFAOYSA-N
MW442.41 g/mol
LogP3.51
Rot. Bonds5

About 3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one

3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one (PubChem CID 42814715) has the molecular formula C20H25Cl2N3O2S and a molecular weight of 442.41 g/mol. Its IUPAC name is 3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one
PubChem CID42814715
Molecular FormulaC20H25Cl2N3O2S
Molecular Weight442.41 g/mol
Exact Mass441.10
IUPAC Name3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one
SMILESCC1SC(c2ccc(Cl)c(Cl)c2)N(CCN2CCN(C(=O)C3CC3)CC2)C1=O
InChIInChI=1S/C20H25Cl2N3O2S/c1-13-18(26)25(20(28-13)15-4-5-16(21)17(22)12-15)11-8-23-6-9-24(10-7-23)19(27)14-2-3-14/h4-5,12-14,20H,2-3,6-11H2,1H3
InChIKeyVYWRGXSCQREWOI-UHFFFAOYSA-N
XLogP3.51
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 42814508
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 24712106
3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-(3,4-dichlorophenyl)-1,3-thiazolidin-4-one
CID 42814619
2-(4-fluorophenyl)-5-methyl-3-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 42814550
(2S)-2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 1372058
2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride
CID 2871934
[4-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]piperazin-1-yl]-cyclopropylmethanone
CID 54758091
4-[2-[5-methyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42814776
2,4-dichloro-N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]benzamide
CID 42697337
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3,4-dichlorophenoxy)propan-1-one
CID 55792554
2-(4-chloro-3-methylphenoxy)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]propanamide
CID 86944786
5-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 42816175

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one (CID 42814715) is 3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one is CC1SC(c2ccc(Cl)c(Cl)c2)N(CCN2CCN(C(=O)C3CC3)CC2)C1=O.
What is the InChIKey of 3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is VYWRGXSCQREWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N3O2S/c1-13-18(26)25(20(28-13)15-4-5-16(21)17(22)12-15)11-8-23-6-9-24(10-7-23)19(27)14-2-3-14/h4-5,12-14,20H,2-3,6-11H2,1H3.
What are the key properties of 3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one?
3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 442.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 42814715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).