methyl 2-cyclohexyl-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylate

C19H25NO4S — CID 42729759

IUPACmethyl 2-cyclohexyl-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSC(C2CCCCC2)N1C(=O)c1cccc(OC)c1
InChIInChI=1S/C19H25NO4S/c1-23-15-10-6-9-14(11-15)17(21)20-16(19(22)24-2)12-25-18(20)13-7-4-3-5-8-13/h6,9-11,13,16,18H,3-5,7-8,12H2,1-2H3
InChIKeyHANROYKOQAHQEV-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.33
Rot. Bonds4

About methyl 2-cyclohexyl-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylate

methyl 2-cyclohexyl-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 42729759) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is methyl 2-cyclohexyl-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclohexyl-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylate
PubChem CID42729759
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC Namemethyl 2-cyclohexyl-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSC(C2CCCCC2)N1C(=O)c1cccc(OC)c1
InChIInChI=1S/C19H25NO4S/c1-23-15-10-6-9-14(11-15)17(21)20-16(19(22)24-2)12-25-18(20)13-7-4-3-5-8-13/h6,9-11,13,16,18H,3-5,7-8,12H2,1-2H3
InChIKeyHANROYKOQAHQEV-UHFFFAOYSA-N
XLogP3.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
(2R,4S)-2-cyclohexyl-3-(3-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 7296665
(2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 2852240
2-cyclohexyl-3-(3-fluorobenzoyl)-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3912422
(2R,4R)-3-benzoyl-2-cyclohexyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 7216276
methyl (2S,3aS,7aS)-1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 11162004
methyl (2S,4S)-4-methoxy-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 99984117
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
methyl 2-cyclohexyl-3-heptanoyl-1,3-thiazolidine-4-carboxylate
CID 42729761
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclohexyl-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl 2-cyclohexyl-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylate (CID 42729759) is methyl 2-cyclohexyl-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl 2-cyclohexyl-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl 2-cyclohexyl-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylate is COC(=O)C1CSC(C2CCCCC2)N1C(=O)c1cccc(OC)c1.
What is the InChIKey of methyl 2-cyclohexyl-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is HANROYKOQAHQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-23-15-10-6-9-14(11-15)17(21)20-16(19(22)24-2)12-25-18(20)13-7-4-3-5-8-13/h6,9-11,13,16,18H,3-5,7-8,12H2,1-2H3.
What are the key properties of methyl 2-cyclohexyl-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylate?
methyl 2-cyclohexyl-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 363.48 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclohexyl-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 42729759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).