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

C13H15FN2O3S — CID 64950865

IUPAC3-(3-fluoropyridine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)c1ccncc1F
InChIInChI=1S/C13H15FN2O3S/c1-2-3-11-16(10(7-20-11)13(18)19)12(17)8-4-5-15-6-9(8)14/h4-6,10-11H,2-3,7H2,1H3,(H,18,19)
InChIKeyMZVKYOHDHSXYSN-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.99
Rot. Bonds4

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

3-(3-fluoropyridine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 64950865) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-(3-fluoropyridine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluoropyridine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID64950865
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC Name3-(3-fluoropyridine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)c1ccncc1F
InChIInChI=1S/C13H15FN2O3S/c1-2-3-11-16(10(7-20-11)13(18)19)12(17)8-4-5-15-6-9(8)14/h4-6,10-11H,2-3,7H2,1H3,(H,18,19)
InChIKeyMZVKYOHDHSXYSN-UHFFFAOYSA-N
XLogP1.99
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-3-(2-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 809620
3-(3,4-difluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63791881
3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 42744256
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-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63790988
3-(5-methylpyrazine-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792058
3-(2-hydroxy-5-iodobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 107731343
3-[2-(2-fluorophenyl)acetyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792427
3-(3-methylfuran-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 55237071
3-[4-(aminomethyl)benzoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63791131
3-(6-chloropyridine-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792745

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropyridine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-fluoropyridine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 64950865) is 3-(3-fluoropyridine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-fluoropyridine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-fluoropyridine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)c1ccncc1F.
What is the InChIKey of 3-(3-fluoropyridine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is MZVKYOHDHSXYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S/c1-2-3-11-16(10(7-20-11)13(18)19)12(17)8-4-5-15-6-9(8)14/h4-6,10-11H,2-3,7H2,1H3,(H,18,19).
What are the key properties of 3-(3-fluoropyridine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-(3-fluoropyridine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropyridine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 64950865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).