(4R)-3-[2-(4-fluorophenyl)benzoyl]-1,3-thiazolidine-4-carboxamide

C17H15FN2O2S — CID 68590935

IUPAC(4R)-3-[2-(4-fluorophenyl)benzoyl]-1,3-thiazolidine-4-carboxamide
SMILESNC(=O)[C@@H]1CSCN1C(=O)c1ccccc1-c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O2S/c18-12-7-5-11(6-8-12)13-3-1-2-4-14(13)17(22)20-10-23-9-15(20)16(19)21/h1-8,15H,9-10H2,(H2,19,21)/t15-/m0/s1
InChIKeyWWVJKSZBYCBABF-HNNXBMFYSA-N
MW330.38 g/mol
LogP2.49
Rot. Bonds3

About (4R)-3-[2-(4-fluorophenyl)benzoyl]-1,3-thiazolidine-4-carboxamide

(4R)-3-[2-(4-fluorophenyl)benzoyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 68590935) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is (4R)-3-[2-(4-fluorophenyl)benzoyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-[2-(4-fluorophenyl)benzoyl]-1,3-thiazolidine-4-carboxamide
PubChem CID68590935
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC Name(4R)-3-[2-(4-fluorophenyl)benzoyl]-1,3-thiazolidine-4-carboxamide
SMILESNC(=O)[C@@H]1CSCN1C(=O)c1ccccc1-c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O2S/c18-12-7-5-11(6-8-12)13-3-1-2-4-14(13)17(22)20-10-23-9-15(20)16(19)21/h1-8,15H,9-10H2,(H2,19,21)/t15-/m0/s1
InChIKeyWWVJKSZBYCBABF-HNNXBMFYSA-N
XLogP2.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-(4-fluorophenyl)benzoyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-[2-(4-fluorophenyl)benzoyl]-1,3-thiazolidine-4-carboxamide (CID 68590935) is (4R)-3-[2-(4-fluorophenyl)benzoyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-[2-(4-fluorophenyl)benzoyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-[2-(4-fluorophenyl)benzoyl]-1,3-thiazolidine-4-carboxamide is NC(=O)[C@@H]1CSCN1C(=O)c1ccccc1-c1ccc(F)cc1.
What is the InChIKey of (4R)-3-[2-(4-fluorophenyl)benzoyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is WWVJKSZBYCBABF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c18-12-7-5-11(6-8-12)13-3-1-2-4-14(13)17(22)20-10-23-9-15(20)16(19)21/h1-8,15H,9-10H2,(H2,19,21)/t15-/m0/s1.
What are the key properties of (4R)-3-[2-(4-fluorophenyl)benzoyl]-1,3-thiazolidine-4-carboxamide?
(4R)-3-[2-(4-fluorophenyl)benzoyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-(4-fluorophenyl)benzoyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 68590935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).