2-cyclopropyl-3-(3-thiophen-2-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid

C14H17NO3S2 — CID 63781077

IUPAC2-cyclopropyl-3-(3-thiophen-2-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C2CC2)N1C(=O)CCc1cccs1
InChIInChI=1S/C14H17NO3S2/c16-12(6-5-10-2-1-7-19-10)15-11(14(17)18)8-20-13(15)9-3-4-9/h1-2,7,9,11,13H,3-6,8H2,(H,17,18)
InChIKeyYOAHSOSDKUYXHK-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.45
Rot. Bonds5

About 2-cyclopropyl-3-(3-thiophen-2-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid

2-cyclopropyl-3-(3-thiophen-2-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63781077) has the molecular formula C14H17NO3S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3-thiophen-2-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(3-thiophen-2-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63781077
Molecular FormulaC14H17NO3S2
Molecular Weight311.43 g/mol
Exact Mass311.06
IUPAC Name2-cyclopropyl-3-(3-thiophen-2-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C2CC2)N1C(=O)CCc1cccs1
InChIInChI=1S/C14H17NO3S2/c16-12(6-5-10-2-1-7-19-10)15-11(14(17)18)8-20-13(15)9-3-4-9/h1-2,7,9,11,13H,3-6,8H2,(H,17,18)
InChIKeyYOAHSOSDKUYXHK-UHFFFAOYSA-N
XLogP2.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780361
2-cyclopropyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780030
2-tert-butyl-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 134091494
2-ethyl-3-[methyl(2-thiophen-2-ylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79488714
1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 43416005
2-cyclopropyl-3-(2-iodobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780905
2-cyclopropyl-3-(2-hydroxy-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781785
(4R)-3-(3-sulfanylpropanoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 12915814
2-cyclopropyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781272
1-cyclobutyl-3-thiophen-2-ylpropan-1-one
CID 64982146
2-cyclopropyl-3-[furan-3-ylmethyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63779506
2-cyclopropyl-3-(3-ethylmorpholine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780021

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3-thiophen-2-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(3-thiophen-2-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid (CID 63781077) is 2-cyclopropyl-3-(3-thiophen-2-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(3-thiophen-2-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(3-thiophen-2-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(C2CC2)N1C(=O)CCc1cccs1.
What is the InChIKey of 2-cyclopropyl-3-(3-thiophen-2-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is YOAHSOSDKUYXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S2/c16-12(6-5-10-2-1-7-19-10)15-11(14(17)18)8-20-13(15)9-3-4-9/h1-2,7,9,11,13H,3-6,8H2,(H,17,18).
What are the key properties of 2-cyclopropyl-3-(3-thiophen-2-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-(3-thiophen-2-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 311.43 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3-thiophen-2-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63781077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).