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

C18H22Cl2N2O2S — CID 42814618

IUPAC2-(3,4-dichlorophenyl)-3-[(1-propanoylpiperidin-4-yl)methyl]-1,3-thiazolidin-4-one
SMILESCCC(=O)N1CCC(CN2C(=O)CSC2c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H22Cl2N2O2S/c1-2-16(23)21-7-5-12(6-8-21)10-22-17(24)11-25-18(22)13-3-4-14(19)15(20)9-13/h3-4,9,12,18H,2,5-8,10-11H2,1H3
InChIKeyNSSHRNDSBXZWIZ-UHFFFAOYSA-N
MW401.36 g/mol
LogP4.22
Rot. Bonds4

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

2-(3,4-dichlorophenyl)-3-[(1-propanoylpiperidin-4-yl)methyl]-1,3-thiazolidin-4-one (PubChem CID 42814618) has the molecular formula C18H22Cl2N2O2S and a molecular weight of 401.36 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-3-[(1-propanoylpiperidin-4-yl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-3-[(1-propanoylpiperidin-4-yl)methyl]-1,3-thiazolidin-4-one
PubChem CID42814618
Molecular FormulaC18H22Cl2N2O2S
Molecular Weight401.36 g/mol
Exact Mass400.08
IUPAC Name2-(3,4-dichlorophenyl)-3-[(1-propanoylpiperidin-4-yl)methyl]-1,3-thiazolidin-4-one
SMILESCCC(=O)N1CCC(CN2C(=O)CSC2c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H22Cl2N2O2S/c1-2-16(23)21-7-5-12(6-8-21)10-22-17(24)11-25-18(22)13-3-4-14(19)15(20)9-13/h3-4,9,12,18H,2,5-8,10-11H2,1H3
InChIKeyNSSHRNDSBXZWIZ-UHFFFAOYSA-N
XLogP4.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.36
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-(3,4-dichlorophenyl)-1,3-thiazolidin-4-one
CID 42814619
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
(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
2-(3,4-dichlorophenyl)-3-hydroxy-1,3-thiazolidin-4-one
CID 71423757
3-(cyclopropylmethyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one
CID 23740893
3-[2-(4-propanoylpiperazin-1-yl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 42815016
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
ethyl 6-(3,4-dichlorophenyl)-3-ethyl-2-oxo-4-[(4-propanoylpiperazin-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylate
CID 42821689
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 2-(3,4-dichlorophenyl)-3-[(1-propanoylpiperidin-4-yl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3,4-dichlorophenyl)-3-[(1-propanoylpiperidin-4-yl)methyl]-1,3-thiazolidin-4-one (CID 42814618) is 2-(3,4-dichlorophenyl)-3-[(1-propanoylpiperidin-4-yl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-3-[(1-propanoylpiperidin-4-yl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)-3-[(1-propanoylpiperidin-4-yl)methyl]-1,3-thiazolidin-4-one is CCC(=O)N1CCC(CN2C(=O)CSC2c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-3-[(1-propanoylpiperidin-4-yl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is NSSHRNDSBXZWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N2O2S/c1-2-16(23)21-7-5-12(6-8-21)10-22-17(24)11-25-18(22)13-3-4-14(19)15(20)9-13/h3-4,9,12,18H,2,5-8,10-11H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-3-[(1-propanoylpiperidin-4-yl)methyl]-1,3-thiazolidin-4-one?
2-(3,4-dichlorophenyl)-3-[(1-propanoylpiperidin-4-yl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 401.36 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 2-(3,4-dichlorophenyl)-3-[(1-propanoylpiperidin-4-yl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 42814618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).