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

C10H11FN2O4S2 — CID 103298803

IUPAC3-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1S(=O)(=O)c1ncccc1F
InChIInChI=1S/C10H11FN2O4S2/c1-6-13(8(5-18-6)10(14)15)19(16,17)9-7(11)3-2-4-12-9/h2-4,6,8H,5H2,1H3,(H,14,15)
InChIKeyUPLWJHZKVPHZMB-UHFFFAOYSA-N
MW306.34 g/mol
LogP0.76
Rot. Bonds3

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

3-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 103298803) has the molecular formula C10H11FN2O4S2 and a molecular weight of 306.34 g/mol. Its IUPAC name is 3-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID103298803
Molecular FormulaC10H11FN2O4S2
Molecular Weight306.34 g/mol
Exact Mass306.01
IUPAC Name3-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1S(=O)(=O)c1ncccc1F
InChIInChI=1S/C10H11FN2O4S2/c1-6-13(8(5-18-6)10(14)15)19(16,17)9-7(11)3-2-4-12-9/h2-4,6,8H,5H2,1H3,(H,14,15)
InChIKeyUPLWJHZKVPHZMB-UHFFFAOYSA-N
XLogP0.76
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-3-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid
CID 103298807
3-[(2-cyano-3-pyridinyl)sulfonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 106593325
2-methyl-3-(2,4,6-trifluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 63781850
3-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780776
3-(3,4-dichlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780418
3-(2-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63782024
2-methyl-3-(1-methylpyrrol-3-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 55235914
3-(difluoromethylsulfonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63781667
3-(3-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780237
3-(2-methoxyphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63779714
2-methyl-3-(2-phenylethenylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 77006564
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]azetidin-3-yl]acetic acid
CID 103298824

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 103298803) is 3-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1S(=O)(=O)c1ncccc1F.
What is the InChIKey of 3-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UPLWJHZKVPHZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O4S2/c1-6-13(8(5-18-6)10(14)15)19(16,17)9-7(11)3-2-4-12-9/h2-4,6,8H,5H2,1H3,(H,14,15).
What are the key properties of 3-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 306.34 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 103298803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).