methyl (4S)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,3-thiazolidine-4-carboxylate

C18H23NO4S — CID 142504337

IUPACmethyl (4S)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1CSCN1C(=O)C1(c2ccc(OC)cc2)CCCC1
InChIInChI=1S/C18H23NO4S/c1-22-14-7-5-13(6-8-14)18(9-3-4-10-18)17(21)19-12-24-11-15(19)16(20)23-2/h5-8,15H,3-4,9-12H2,1-2H3/t15-/m1/s1
InChIKeyFEKXBLSBCRHYFQ-OAHLLOKOSA-N
MW349.45 g/mol
LogP2.58
Rot. Bonds4

About methyl (4S)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,3-thiazolidine-4-carboxylate

methyl (4S)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,3-thiazolidine-4-carboxylate (PubChem CID 142504337) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is methyl (4S)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,3-thiazolidine-4-carboxylate
PubChem CID142504337
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC Namemethyl (4S)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1CSCN1C(=O)C1(c2ccc(OC)cc2)CCCC1
InChIInChI=1S/C18H23NO4S/c1-22-14-7-5-13(6-8-14)18(9-3-4-10-18)17(21)19-12-24-11-15(19)16(20)23-2/h5-8,15H,3-4,9-12H2,1-2H3/t15-/m1/s1
InChIKeyFEKXBLSBCRHYFQ-OAHLLOKOSA-N
XLogP2.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylate
CID 142504116
(2R)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-N-phenylpyrrolidine-2-carboxamide
CID 146500299
(4R)-3-[1-(4-bromophenyl)cyclopropanecarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 61144833
[1-(4-methoxyphenyl)cyclopropyl]-(2-methylpiperidin-1-yl)methanone
CID 110485731
N-ethyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 110487274
methyl 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylate
CID 43423447
(2R)-4-[1-(4-methoxyphenyl)cyclohexanecarbonyl]morpholine-2-carboxamide
CID 94370776
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 56914468
[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 91781820
1-[1-(4-methoxyphenyl)cyclobutanecarbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119792
(3S,4S)-1-[1-(4-methoxyphenyl)cyclobutanecarbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122112624
1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1-methylindazol-4-yl)pyrrolidine-2-carboxamide;1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;methyl 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylate
CID 157419858

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl (4S)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,3-thiazolidine-4-carboxylate (CID 142504337) is methyl (4S)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl (4S)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl (4S)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,3-thiazolidine-4-carboxylate is COC(=O)[C@H]1CSCN1C(=O)C1(c2ccc(OC)cc2)CCCC1.
What is the InChIKey of methyl (4S)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,3-thiazolidine-4-carboxylate?
The InChIKey is FEKXBLSBCRHYFQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-22-14-7-5-13(6-8-14)18(9-3-4-10-18)17(21)19-12-24-11-15(19)16(20)23-2/h5-8,15H,3-4,9-12H2,1-2H3/t15-/m1/s1.
What are the key properties of methyl (4S)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,3-thiazolidine-4-carboxylate?
methyl (4S)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,3-thiazolidine-4-carboxylate has a molecular weight of 349.45 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 142504337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).