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

C14H15F2NO3S — CID 63791881

IUPAC3-(3,4-difluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2NO3S/c1-2-3-12-17(11(7-21-12)14(19)20)13(18)8-4-5-9(15)10(16)6-8/h4-6,11-12H,2-3,7H2,1H3,(H,19,20)
InChIKeyHAKNLFDVUXXVJK-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.73
Rot. Bonds4

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

3-(3,4-difluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63791881) has the molecular formula C14H15F2NO3S and a molecular weight of 315.34 g/mol. Its IUPAC name is 3-(3,4-difluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-difluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63791881
Molecular FormulaC14H15F2NO3S
Molecular Weight315.34 g/mol
Exact Mass315.07
IUPAC Name3-(3,4-difluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2NO3S/c1-2-3-12-17(11(7-21-12)14(19)20)13(18)8-4-5-9(15)10(16)6-8/h4-6,11-12H,2-3,7H2,1H3,(H,19,20)
InChIKeyHAKNLFDVUXXVJK-UHFFFAOYSA-N
XLogP2.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63790988
3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 42744256
2-ethyl-3-(4-fluoro-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792343
(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
3-(4-cyanobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792222
3-(3-fluoropyridine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 64950865
3-(2-bromo-4-chlorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 107986700
3-(4-hydroxy-2-methylbenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 107670804
3-[2-(2-fluorophenyl)acetyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792427
3-(3,5-difluorobenzoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63792890
3-(3-methylfuran-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 55237071

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3,4-difluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 63791881) is 3-(3,4-difluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3,4-difluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3,4-difluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HAKNLFDVUXXVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO3S/c1-2-3-12-17(11(7-21-12)14(19)20)13(18)8-4-5-9(15)10(16)6-8/h4-6,11-12H,2-3,7H2,1H3,(H,19,20).
What are the key properties of 3-(3,4-difluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-(3,4-difluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 315.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63791881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).