propyl (2R,4S)-2-(2-chlorophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylate

C18H22ClNO3S — CID 7416813

IUPACpropyl (2R,4S)-2-(2-chlorophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylate
SMILESCCCOC(=O)[C@H]1CS[C@H](c2ccccc2Cl)N1C(=O)C1CCC1
InChIInChI=1S/C18H22ClNO3S/c1-2-10-23-18(22)15-11-24-17(13-8-3-4-9-14(13)19)20(15)16(21)12-6-5-7-12/h3-4,8-9,12,15,17H,2,5-7,10-11H2,1H3/t15-,17-/m1/s1
InChIKeyLUPYDWQWRYKBPI-NVXWUHKLSA-N
MW367.90 g/mol
LogP4.04
Rot. Bonds5

About propyl (2R,4S)-2-(2-chlorophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylate

propyl (2R,4S)-2-(2-chlorophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 7416813) has the molecular formula C18H22ClNO3S and a molecular weight of 367.90 g/mol. Its IUPAC name is propyl (2R,4S)-2-(2-chlorophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namepropyl (2R,4S)-2-(2-chlorophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylate
PubChem CID7416813
Molecular FormulaC18H22ClNO3S
Molecular Weight367.90 g/mol
Exact Mass367.10
IUPAC Namepropyl (2R,4S)-2-(2-chlorophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylate
SMILESCCCOC(=O)[C@H]1CS[C@H](c2ccccc2Cl)N1C(=O)C1CCC1
InChIInChI=1S/C18H22ClNO3S/c1-2-10-23-18(22)15-11-24-17(13-8-3-4-9-14(13)19)20(15)16(21)12-6-5-7-12/h3-4,8-9,12,15,17H,2,5-7,10-11H2,1H3/t15-,17-/m1/s1
InChIKeyLUPYDWQWRYKBPI-NVXWUHKLSA-N
XLogP4.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propyl (2R,4S)-2-(2-chlorophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylate with MolForge

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Related Compounds

propyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 7231770
propyl (2R,4S)-2-(2-chlorophenyl)-3-hexanoyl-1,3-thiazolidine-4-carboxylate
CID 7439910
propyl 3-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 3401669
propyl 2-(2-chlorophenyl)-3-(naphthalene-2-carbonyl)-1,3-thiazolidine-4-carboxylate
CID 5203660
butyl 2-(2-chlorophenyl)-3-(2-phenylcyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate
CID 4020625
propyl 2-(4-tert-butylphenyl)-3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carboxylate
CID 42729528
butyl 2-(2-chlorophenyl)-3-(3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylate
CID 4552881
ethyl 2-(2-chlorophenyl)-3-(phenylcarbamoyl)-1,3-thiazolidine-4-carboxylate
CID 42728826
butyl 2-(2-chlorophenyl)-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxylate
CID 42744574
butyl 2-(2-chlorophenyl)-3-[(2,6-dimethylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 4305902
ethyl 2-(2-chlorophenyl)-3-(2-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42728809
2-methylpropyl 2-(2-chlorophenyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxylate
CID 42744586

Frequently Asked Questions

What is the IUPAC name of propyl (2R,4S)-2-(2-chlorophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of propyl (2R,4S)-2-(2-chlorophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylate (CID 7416813) is propyl (2R,4S)-2-(2-chlorophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for propyl (2R,4S)-2-(2-chlorophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for propyl (2R,4S)-2-(2-chlorophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylate is CCCOC(=O)[C@H]1CS[C@H](c2ccccc2Cl)N1C(=O)C1CCC1.
What is the InChIKey of propyl (2R,4S)-2-(2-chlorophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is LUPYDWQWRYKBPI-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H22ClNO3S/c1-2-10-23-18(22)15-11-24-17(13-8-3-4-9-14(13)19)20(15)16(21)12-6-5-7-12/h3-4,8-9,12,15,17H,2,5-7,10-11H2,1H3/t15-,17-/m1/s1.
What are the key properties of propyl (2R,4S)-2-(2-chlorophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylate?
propyl (2R,4S)-2-(2-chlorophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 367.90 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (2R,4S)-2-(2-chlorophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 7416813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).