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

C18H16FNO4S — CID 68806194

IUPAC(2R)-2-(3-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CS[C@H](c2cccc(F)c2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C18H16FNO4S/c19-14-8-4-7-13(9-14)16-20(15(11-25-16)17(21)22)18(23)24-10-12-5-2-1-3-6-12/h1-9,15-16H,10-11H2,(H,21,22)/t15?,16-/m1/s1
InChIKeyNTZFRJSUPAPNKE-OEMAIJDKSA-N
MW361.39 g/mol
LogP3.66
Rot. Bonds4

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

(2R)-2-(3-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 68806194) has the molecular formula C18H16FNO4S and a molecular weight of 361.39 g/mol. Its IUPAC name is (2R)-2-(3-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(3-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID68806194
Molecular FormulaC18H16FNO4S
Molecular Weight361.39 g/mol
Exact Mass361.08
IUPAC Name(2R)-2-(3-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CS[C@H](c2cccc(F)c2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C18H16FNO4S/c19-14-8-4-7-13(9-14)16-20(15(11-25-16)17(21)22)18(23)24-10-12-5-2-1-3-6-12/h1-9,15-16H,10-11H2,(H,21,22)/t15?,16-/m1/s1
InChIKeyNTZFRJSUPAPNKE-OEMAIJDKSA-N
XLogP3.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R)-2-(3-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid (CID 68806194) is (2R)-2-(3-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R)-2-(3-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R)-2-(3-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CS[C@H](c2cccc(F)c2)N1C(=O)OCc1ccccc1.
What is the InChIKey of (2R)-2-(3-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is NTZFRJSUPAPNKE-OEMAIJDKSA-N. The full InChI is InChI=1S/C18H16FNO4S/c19-14-8-4-7-13(9-14)16-20(15(11-25-16)17(21)22)18(23)24-10-12-5-2-1-3-6-12/h1-9,15-16H,10-11H2,(H,21,22)/t15?,16-/m1/s1.
What are the key properties of (2R)-2-(3-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid?
(2R)-2-(3-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 361.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-fluorophenyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 68806194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).