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

C18H23NO3S — CID 42728472

IUPAC3-(3-cyclopentylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccccc2)N1C(=O)CCC1CCCC1
InChIInChI=1S/C18H23NO3S/c20-16(11-10-13-6-4-5-7-13)19-15(18(21)22)12-23-17(19)14-8-2-1-3-9-14/h1-3,8-9,13,15,17H,4-7,10-12H2,(H,21,22)
InChIKeyKTHBBBTVRFNREU-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.68
Rot. Bonds5

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

3-(3-cyclopentylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 42728472) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is 3-(3-cyclopentylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-cyclopentylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID42728472
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name3-(3-cyclopentylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccccc2)N1C(=O)CCC1CCCC1
InChIInChI=1S/C18H23NO3S/c20-16(11-10-13-6-4-5-7-13)19-15(18(21)22)12-23-17(19)14-8-2-1-3-9-14/h1-3,8-9,13,15,17H,4-7,10-12H2,(H,21,22)
InChIKeyKTHBBBTVRFNREU-UHFFFAOYSA-N
XLogP3.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 759136
3-(3-chloropropanoyl)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 42727794
(4R)-2-(3-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 12915713
(2R,4R)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 67713183
(4R)-2-phenyl-3-[2-(phenylmethoxycarbonylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 70156663
3-(4-hydroxy-4-phenyl-3-sulfanylidenebutanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 57225942
3-(2,2-diphenylacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 42728478
3-(3-chloropropanoyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 42728854
(4R)-3-butanoyl-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 146861544
(2R,4R)-3-(4-bromobenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 93033477
3-acetyl-2-(2-deuteriophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 139903120
butyl (2S,4R)-3-pentanoyl-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 7296605

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-cyclopentylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid (CID 42728472) is 3-(3-cyclopentylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-cyclopentylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-cyclopentylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(c2ccccc2)N1C(=O)CCC1CCCC1.
What is the InChIKey of 3-(3-cyclopentylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is KTHBBBTVRFNREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c20-16(11-10-13-6-4-5-7-13)19-15(18(21)22)12-23-17(19)14-8-2-1-3-9-14/h1-3,8-9,13,15,17H,4-7,10-12H2,(H,21,22).
What are the key properties of 3-(3-cyclopentylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid?
3-(3-cyclopentylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 333.45 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 42728472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).