3-[3-fluoro-2-(2-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid

C19H18FNO3S — CID 141030088

IUPAC3-[3-fluoro-2-(2-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)C(CF)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H18FNO3S/c20-10-16(18(22)21-12-25-11-17(21)19(23)24)15-9-5-4-8-14(15)13-6-2-1-3-7-13/h1-9,16-17H,10-12H2,(H,23,24)
InChIKeyLDOUPEXMTBBEFT-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.39
Rot. Bonds5

About 3-[3-fluoro-2-(2-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid

3-[3-fluoro-2-(2-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 141030088) has the molecular formula C19H18FNO3S and a molecular weight of 359.42 g/mol. Its IUPAC name is 3-[3-fluoro-2-(2-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[3-fluoro-2-(2-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID141030088
Molecular FormulaC19H18FNO3S
Molecular Weight359.42 g/mol
Exact Mass359.10
IUPAC Name3-[3-fluoro-2-(2-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)C(CF)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H18FNO3S/c20-10-16(18(22)21-12-25-11-17(21)19(23)24)15-9-5-4-8-14(15)13-6-2-1-3-7-13/h1-9,16-17H,10-12H2,(H,23,24)
InChIKeyLDOUPEXMTBBEFT-UHFFFAOYSA-N
XLogP3.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-2-(2-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[3-fluoro-2-(2-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid (CID 141030088) is 3-[3-fluoro-2-(2-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[3-fluoro-2-(2-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[3-fluoro-2-(2-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)C(CF)c1ccccc1-c1ccccc1.
What is the InChIKey of 3-[3-fluoro-2-(2-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LDOUPEXMTBBEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3S/c20-10-16(18(22)21-12-25-11-17(21)19(23)24)15-9-5-4-8-14(15)13-6-2-1-3-7-13/h1-9,16-17H,10-12H2,(H,23,24).
What are the key properties of 3-[3-fluoro-2-(2-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[3-fluoro-2-(2-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 359.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-2-(2-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 141030088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).