2-butyl-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid

C14H18FNO2S — CID 174562699

IUPAC2-butyl-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCCCC1(c2cccc(F)c2)NC(C(=O)O)CS1
InChIInChI=1S/C14H18FNO2S/c1-2-3-7-14(10-5-4-6-11(15)8-10)16-12(9-19-14)13(17)18/h4-6,8,12,16H,2-3,7,9H2,1H3,(H,17,18)
InChIKeyLXHAZCMZWRFLOW-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.96
Rot. Bonds5

About 2-butyl-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid

2-butyl-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 174562699) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-butyl-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-butyl-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID174562699
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC Name2-butyl-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCCCC1(c2cccc(F)c2)NC(C(=O)O)CS1
InChIInChI=1S/C14H18FNO2S/c1-2-3-7-14(10-5-4-6-11(15)8-10)16-12(9-19-14)13(17)18/h4-6,8,12,16H,2-3,7,9H2,1H3,(H,17,18)
InChIKeyLXHAZCMZWRFLOW-UHFFFAOYSA-N
XLogP2.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-butyl-2-tert-butyl-1,3-thiazolidine-4-carboxylic acid
CID 67704629
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2-benzyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid
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3-fluoro-N-[(E)-1-phenylpentylideneamino]benzamide
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1-fluoro-3-[1-(3-fluorophenyl)-4-heptylcyclohexyl]benzene
CID 22420527
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fluorobenzene;hexane
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CID 63790988

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-butyl-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid (CID 174562699) is 2-butyl-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-butyl-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-butyl-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid is CCCCC1(c2cccc(F)c2)NC(C(=O)O)CS1.
What is the InChIKey of 2-butyl-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LXHAZCMZWRFLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2S/c1-2-3-7-14(10-5-4-6-11(15)8-10)16-12(9-19-14)13(17)18/h4-6,8,12,16H,2-3,7,9H2,1H3,(H,17,18).
What are the key properties of 2-butyl-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid?
2-butyl-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 174562699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).