3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

C14H16FNO3S — CID 63790988

IUPAC3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)c1cccc(F)c1
InChIInChI=1S/C14H16FNO3S/c1-2-4-12-16(11(8-20-12)14(18)19)13(17)9-5-3-6-10(15)7-9/h3,5-7,11-12H,2,4,8H2,1H3,(H,18,19)
InChIKeyGXZQCHHGUPJOHA-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.59
Rot. Bonds4

About 3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63790988) has the molecular formula C14H16FNO3S and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63790988
Molecular FormulaC14H16FNO3S
Molecular Weight297.35 g/mol
Exact Mass297.08
IUPAC Name3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)c1cccc(F)c1
InChIInChI=1S/C14H16FNO3S/c1-2-4-12-16(11(8-20-12)14(18)19)13(17)9-5-3-6-10(15)7-9/h3,5-7,11-12H,2,4,8H2,1H3,(H,18,19)
InChIKeyGXZQCHHGUPJOHA-UHFFFAOYSA-N
XLogP2.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 42744256
3-(3,4-difluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63791881
butyl (2S,4S)-3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate
CID 7396132
3-[2-(3-fluorophenyl)acetyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792230
methyl 3-(3-fluorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 42729361
(2S,4S)-3-(2-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 809620
3-[4-(aminomethyl)benzoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63791131
(2S,4S)-3-(3-fluorobenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 7361288
3-(3,5-difluorobenzoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63792890
3-(4-cyanobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792222
(2R,4S)-2-cyclohexyl-3-(3-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 7296665
3-(3-hydroxy-2-methylbenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 82810538

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 63790988) is 3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GXZQCHHGUPJOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3S/c1-2-4-12-16(11(8-20-12)14(18)19)13(17)9-5-3-6-10(15)7-9/h3,5-7,11-12H,2,4,8H2,1H3,(H,18,19).
What are the key properties of 3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 297.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63790988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).