2-cyclopropyl-3-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid

C12H13FN2O4S2 — CID 103298807

IUPAC2-cyclopropyl-3-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C2CC2)N1S(=O)(=O)c1ncccc1F
InChIInChI=1S/C12H13FN2O4S2/c13-8-2-1-5-14-10(8)21(18,19)15-9(12(16)17)6-20-11(15)7-3-4-7/h1-2,5,7,9,11H,3-4,6H2,(H,16,17)
InChIKeyBIYUJHCVNUSXMX-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.15
Rot. Bonds4

About 2-cyclopropyl-3-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid

2-cyclopropyl-3-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 103298807) has the molecular formula C12H13FN2O4S2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-cyclopropyl-3-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID103298807
Molecular FormulaC12H13FN2O4S2
Molecular Weight332.38 g/mol
Exact Mass332.03
IUPAC Name2-cyclopropyl-3-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C2CC2)N1S(=O)(=O)c1ncccc1F
InChIInChI=1S/C12H13FN2O4S2/c13-8-2-1-5-14-10(8)21(18,19)15-9(12(16)17)6-20-11(15)7-3-4-7/h1-2,5,7,9,11H,3-4,6H2,(H,16,17)
InChIKeyBIYUJHCVNUSXMX-UHFFFAOYSA-N
XLogP1.15
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 103298803
2-cyclopropyl-3-(1-methylpyrazol-4-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 63781185
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]acetic acid
CID 103298867
2-cyclopropyl-3-sulfamoyl-1,3-thiazolidine-4-carboxylic acid
CID 114958892
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]azetidin-3-yl]acetic acid
CID 103298824
2-cyclopropyl-3-(2,5-dibromothiophen-3-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 63781514
1-[(3-fluoro-2-pyridinyl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 103299708
1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane
CID 103299166
3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine
CID 103299830
2-(3-tert-butylpyrrolidin-1-yl)sulfonyl-3-fluoropyridine
CID 103300413
(3aR,7aS)-2-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 103302388
3-[(2-cyano-3-pyridinyl)sulfonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 106593325

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid (CID 103298807) is 2-cyclopropyl-3-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(C2CC2)N1S(=O)(=O)c1ncccc1F.
What is the InChIKey of 2-cyclopropyl-3-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is BIYUJHCVNUSXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O4S2/c13-8-2-1-5-14-10(8)21(18,19)15-9(12(16)17)6-20-11(15)7-3-4-7/h1-2,5,7,9,11H,3-4,6H2,(H,16,17).
What are the key properties of 2-cyclopropyl-3-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 332.38 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 103298807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).