(2R,4S)-2-cyclohexyl-3-(3-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid

C17H20FNO3S — CID 7296665

IUPAC(2R,4S)-2-cyclohexyl-3-(3-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CS[C@H](C2CCCCC2)N1C(=O)c1cccc(F)c1
InChIInChI=1S/C17H20FNO3S/c18-13-8-4-7-12(9-13)15(20)19-14(17(21)22)10-23-16(19)11-5-2-1-3-6-11/h4,7-9,11,14,16H,1-3,5-6,10H2,(H,21,22)/t14-,16-/m1/s1
InChIKeyVAVKWUOQROSLCA-GDBMZVCRSA-N
MW337.42 g/mol
LogP3.37
Rot. Bonds3

About (2R,4S)-2-cyclohexyl-3-(3-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid

(2R,4S)-2-cyclohexyl-3-(3-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 7296665) has the molecular formula C17H20FNO3S and a molecular weight of 337.42 g/mol. Its IUPAC name is (2R,4S)-2-cyclohexyl-3-(3-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-2-cyclohexyl-3-(3-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID7296665
Molecular FormulaC17H20FNO3S
Molecular Weight337.42 g/mol
Exact Mass337.11
IUPAC Name(2R,4S)-2-cyclohexyl-3-(3-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CS[C@H](C2CCCCC2)N1C(=O)c1cccc(F)c1
InChIInChI=1S/C17H20FNO3S/c18-13-8-4-7-12(9-13)15(20)19-14(17(21)22)10-23-16(19)11-5-2-1-3-6-11/h4,7-9,11,14,16H,1-3,5-6,10H2,(H,21,22)/t14-,16-/m1/s1
InChIKeyVAVKWUOQROSLCA-GDBMZVCRSA-N
XLogP3.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-3-(3-fluorobenzoyl)-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3912422
(2S,4S)-3-(3-fluorobenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 7361288
3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63790988
(2R,4S)-3-benzoyl-2-cyclohexyl-N-[(4-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 1198786
methyl 2-cyclohexyl-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42729759
2-cyclohexyl-3-(2,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 42728688
2-cyclopropyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781272
(2R,4R)-3-benzoyl-2-cyclohexyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 7216276
2-cyclohexyl-N,N-diethyl-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744121
2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
CID 42727751
(2S,4S)-3-benzoyl-2-cyclohexyl-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7355982
(2R,3aS,7aR)-1-(3-chlorobenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 51703815

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-cyclohexyl-3-(3-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R,4S)-2-cyclohexyl-3-(3-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid (CID 7296665) is (2R,4S)-2-cyclohexyl-3-(3-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R,4S)-2-cyclohexyl-3-(3-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R,4S)-2-cyclohexyl-3-(3-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@H]1CS[C@H](C2CCCCC2)N1C(=O)c1cccc(F)c1.
What is the InChIKey of (2R,4S)-2-cyclohexyl-3-(3-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VAVKWUOQROSLCA-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H20FNO3S/c18-13-8-4-7-12(9-13)15(20)19-14(17(21)22)10-23-16(19)11-5-2-1-3-6-11/h4,7-9,11,14,16H,1-3,5-6,10H2,(H,21,22)/t14-,16-/m1/s1.
What are the key properties of (2R,4S)-2-cyclohexyl-3-(3-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
(2R,4S)-2-cyclohexyl-3-(3-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 337.42 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-cyclohexyl-3-(3-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 7296665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).