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

C19H22Cl2N2O2S — CID 42814619

IUPAC3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-(3,4-dichlorophenyl)-1,3-thiazolidin-4-one
SMILESO=C(C1CC1)N1CCC(CN2C(=O)CSC2c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C19H22Cl2N2O2S/c20-15-4-3-14(9-16(15)21)19-23(17(24)11-26-19)10-12-5-7-22(8-6-12)18(25)13-1-2-13/h3-4,9,12-13,19H,1-2,5-8,10-11H2
InChIKeyBTTCNJHTTFTYJT-UHFFFAOYSA-N
MW413.37 g/mol
LogP4.22
Rot. Bonds4

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

3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-(3,4-dichlorophenyl)-1,3-thiazolidin-4-one (PubChem CID 42814619) has the molecular formula C19H22Cl2N2O2S and a molecular weight of 413.37 g/mol. Its IUPAC name is 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-(3,4-dichlorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-(3,4-dichlorophenyl)-1,3-thiazolidin-4-one
PubChem CID42814619
Molecular FormulaC19H22Cl2N2O2S
Molecular Weight413.37 g/mol
Exact Mass412.08
IUPAC Name3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-(3,4-dichlorophenyl)-1,3-thiazolidin-4-one
SMILESO=C(C1CC1)N1CCC(CN2C(=O)CSC2c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C19H22Cl2N2O2S/c20-15-4-3-14(9-16(15)21)19-23(17(24)11-26-19)10-12-5-7-22(8-6-12)18(25)13-1-2-13/h3-4,9,12-13,19H,1-2,5-8,10-11H2
InChIKeyBTTCNJHTTFTYJT-UHFFFAOYSA-N
XLogP4.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.37
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-(3,4-dichlorophenyl)-1,3-thiazolidin-4-one with MolForge

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Related Compounds

2-(3,4-dichlorophenyl)-3-[(1-propanoylpiperidin-4-yl)methyl]-1,3-thiazolidin-4-one
CID 42814618
(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
3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 42814508
2-(3,4-dichlorophenyl)-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one
CID 42795811
2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
CID 2861654
2-(3,4-dichlorophenyl)-3-hydroxy-1,3-thiazolidin-4-one
CID 71423757
3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one
CID 42814715
2-[(2S)-2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 93143235
(2S)-2-(4-chlorophenyl)-3-[2-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 1207971
[4-[(3-bromo-4-chlorophenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
CID 83232075
N-[4-[3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide
CID 3847513

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-(3,4-dichlorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-(3,4-dichlorophenyl)-1,3-thiazolidin-4-one (CID 42814619) is 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-(3,4-dichlorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-(3,4-dichlorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-(3,4-dichlorophenyl)-1,3-thiazolidin-4-one is O=C(C1CC1)N1CCC(CN2C(=O)CSC2c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-(3,4-dichlorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is BTTCNJHTTFTYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O2S/c20-15-4-3-14(9-16(15)21)19-23(17(24)11-26-19)10-12-5-7-22(8-6-12)18(25)13-1-2-13/h3-4,9,12-13,19H,1-2,5-8,10-11H2.
What are the key properties of 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-(3,4-dichlorophenyl)-1,3-thiazolidin-4-one?
3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-(3,4-dichlorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 413.37 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-(3,4-dichlorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 42814619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).