methyl (2R,4S)-3-(2-chlorobenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate

C18H15Cl2NO3S — CID 1061757

IUPACmethyl (2R,4S)-3-(2-chlorobenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1CS[C@H](c2cccc(Cl)c2)N1C(=O)c1ccccc1Cl
InChIInChI=1S/C18H15Cl2NO3S/c1-24-18(23)15-10-25-17(11-5-4-6-12(19)9-11)21(15)16(22)13-7-2-3-8-14(13)20/h2-9,15,17H,10H2,1H3/t15-,17-/m1/s1
InChIKeyFCDZPTQUGKAKQI-NVXWUHKLSA-N
MW396.30 g/mol
LogP4.42
Rot. Bonds3

About methyl (2R,4S)-3-(2-chlorobenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate

methyl (2R,4S)-3-(2-chlorobenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 1061757) has the molecular formula C18H15Cl2NO3S and a molecular weight of 396.30 g/mol. Its IUPAC name is methyl (2R,4S)-3-(2-chlorobenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4S)-3-(2-chlorobenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate
PubChem CID1061757
Molecular FormulaC18H15Cl2NO3S
Molecular Weight396.30 g/mol
Exact Mass395.01
IUPAC Namemethyl (2R,4S)-3-(2-chlorobenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1CS[C@H](c2cccc(Cl)c2)N1C(=O)c1ccccc1Cl
InChIInChI=1S/C18H15Cl2NO3S/c1-24-18(23)15-10-25-17(11-5-4-6-12(19)9-11)21(15)16(22)13-7-2-3-8-14(13)20/h2-9,15,17H,10H2,1H3/t15-,17-/m1/s1
InChIKeyFCDZPTQUGKAKQI-NVXWUHKLSA-N
XLogP4.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.30
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R,4R)-3-(2-chlorobenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 1061758
methyl 2-(3-chlorophenyl)-3-(3,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42728012
propan-2-yl 2-(3-chlorophenyl)-3-(2,4-dimethoxybenzoyl)-1,3-thiazolidine-4-carboxylate
CID 4652700
ethyl 3-(2-chloro-4-nitrobenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 42728980
N-benzyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 42748496
methyl 2-(3,4-dichlorophenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42729205
(2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 7288424
methyl 3-(cyclobutanecarbonyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 42729218
butyl 2-(3-chlorophenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxylate
CID 42729576
methyl 2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42728767
methyl (2S,4R)-2-(4-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate
CID 1477729
methyl (2R,4R)-2-(2-chlorophenyl)-3-(4-iodobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 146026666

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4S)-3-(2-chlorobenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl (2R,4S)-3-(2-chlorobenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate (CID 1061757) is methyl (2R,4S)-3-(2-chlorobenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl (2R,4S)-3-(2-chlorobenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl (2R,4S)-3-(2-chlorobenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate is COC(=O)[C@H]1CS[C@H](c2cccc(Cl)c2)N1C(=O)c1ccccc1Cl.
What is the InChIKey of methyl (2R,4S)-3-(2-chlorobenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is FCDZPTQUGKAKQI-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H15Cl2NO3S/c1-24-18(23)15-10-25-17(11-5-4-6-12(19)9-11)21(15)16(22)13-7-2-3-8-14(13)20/h2-9,15,17H,10H2,1H3/t15-,17-/m1/s1.
What are the key properties of methyl (2R,4S)-3-(2-chlorobenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate?
methyl (2R,4S)-3-(2-chlorobenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 396.30 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4S)-3-(2-chlorobenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 1061757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).