(4S)-3-[(2-phenylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

C17H16N2O3S — CID 86287731

IUPAC(4S)-3-[(2-phenylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CSCN1C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C17H16N2O3S/c20-16(21)15-10-23-11-19(15)17(22)18-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,18,22)(H,20,21)/t15-/m1/s1
InChIKeyOMWQYTQGJFTPLE-OAHLLOKOSA-N
MW328.39 g/mol
LogP3.35
Rot. Bonds3

About (4S)-3-[(2-phenylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

(4S)-3-[(2-phenylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 86287731) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is (4S)-3-[(2-phenylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-3-[(2-phenylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID86287731
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name(4S)-3-[(2-phenylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CSCN1C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C17H16N2O3S/c20-16(21)15-10-23-11-19(15)17(22)18-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,18,22)(H,20,21)/t15-/m1/s1
InChIKeyOMWQYTQGJFTPLE-OAHLLOKOSA-N
XLogP3.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2-phenylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4S)-3-[(2-phenylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 86287731) is (4S)-3-[(2-phenylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-3-[(2-phenylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-3-[(2-phenylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@H]1CSCN1C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of (4S)-3-[(2-phenylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is OMWQYTQGJFTPLE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16N2O3S/c20-16(21)15-10-23-11-19(15)17(22)18-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,18,22)(H,20,21)/t15-/m1/s1.
What are the key properties of (4S)-3-[(2-phenylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4S)-3-[(2-phenylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 328.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2-phenylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 86287731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).