2-propyl-3-(1-thiophen-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C14H20N2O3S2 — CID 63779950

IUPAC2-propyl-3-(1-thiophen-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)NC(C)c1ccsc1
InChIInChI=1S/C14H20N2O3S2/c1-3-4-12-16(11(8-21-12)13(17)18)14(19)15-9(2)10-5-6-20-7-10/h5-7,9,11-12H,3-4,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyJQLDMSYOLKINSW-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.15
Rot. Bonds5

About 2-propyl-3-(1-thiophen-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

2-propyl-3-(1-thiophen-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63779950) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-propyl-3-(1-thiophen-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-propyl-3-(1-thiophen-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63779950
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC Name2-propyl-3-(1-thiophen-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)NC(C)c1ccsc1
InChIInChI=1S/C14H20N2O3S2/c1-3-4-12-16(11(8-21-12)13(17)18)14(19)15-9(2)10-5-6-20-7-10/h5-7,9,11-12H,3-4,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyJQLDMSYOLKINSW-UHFFFAOYSA-N
XLogP3.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-propyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780663
2-ethyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780542
2-ethyl-3-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781307
3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 42744256
3-(3-chlorothiophene-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 80644761
3-(2-propan-2-yloxyethylcarbamoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 104763793
N-(1-phenylethyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 5029074
3-[1-(4-bromophenyl)ethylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63782017
3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63779770
3-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63781691
(2S,4S)-3-(2-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 809620
3-[(2S)-2-amino-3-methylbutanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 55235516

Frequently Asked Questions

What is the IUPAC name of 2-propyl-3-(1-thiophen-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-propyl-3-(1-thiophen-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 63779950) is 2-propyl-3-(1-thiophen-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-propyl-3-(1-thiophen-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-propyl-3-(1-thiophen-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)NC(C)c1ccsc1.
What is the InChIKey of 2-propyl-3-(1-thiophen-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is JQLDMSYOLKINSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c1-3-4-12-16(11(8-21-12)13(17)18)14(19)15-9(2)10-5-6-20-7-10/h5-7,9,11-12H,3-4,8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-propyl-3-(1-thiophen-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
2-propyl-3-(1-thiophen-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 328.46 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3-(1-thiophen-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63779950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).