(4R)-2-phenyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid

C18H17NO3S — CID 54584177

IUPAC(4R)-2-phenyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(c2ccccc2)N1C(=O)Cc1ccccc1
InChIInChI=1S/C18H17NO3S/c20-16(11-13-7-3-1-4-8-13)19-15(18(21)22)12-23-17(19)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2,(H,21,22)/t15-,17?/m0/s1
InChIKeyGBSIEZRJIMGRIH-MYJWUSKBSA-N
MW327.40 g/mol
LogP2.96
Rot. Bonds4

About (4R)-2-phenyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-2-phenyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 54584177) has the molecular formula C18H17NO3S and a molecular weight of 327.40 g/mol. Its IUPAC name is (4R)-2-phenyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-phenyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID54584177
Molecular FormulaC18H17NO3S
Molecular Weight327.40 g/mol
Exact Mass327.09
IUPAC Name(4R)-2-phenyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(c2ccccc2)N1C(=O)Cc1ccccc1
InChIInChI=1S/C18H17NO3S/c20-16(11-13-7-3-1-4-8-13)19-15(18(21)22)12-23-17(19)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2,(H,21,22)/t15-,17?/m0/s1
InChIKeyGBSIEZRJIMGRIH-MYJWUSKBSA-N
XLogP2.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-phenyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-2-phenyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid (CID 54584177) is (4R)-2-phenyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-2-phenyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-2-phenyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSC(c2ccccc2)N1C(=O)Cc1ccccc1.
What is the InChIKey of (4R)-2-phenyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GBSIEZRJIMGRIH-MYJWUSKBSA-N. The full InChI is InChI=1S/C18H17NO3S/c20-16(11-13-7-3-1-4-8-13)19-15(18(21)22)12-23-17(19)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2,(H,21,22)/t15-,17?/m0/s1.
What are the key properties of (4R)-2-phenyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-2-phenyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 327.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-phenyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 54584177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).