3-[cyclopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid

C13H22N2O3S — CID 63781419

IUPAC3-[cyclopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)N(CC)C1CC1
InChIInChI=1S/C13H22N2O3S/c1-3-5-11-15(10(8-19-11)12(16)17)13(18)14(4-2)9-6-7-9/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyWRQBBZBGPCVMKG-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.22
Rot. Bonds5

About 3-[cyclopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid

3-[cyclopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63781419) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-[cyclopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63781419
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name3-[cyclopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)N(CC)C1CC1
InChIInChI=1S/C13H22N2O3S/c1-3-5-11-15(10(8-19-11)12(16)17)13(18)14(4-2)9-6-7-9/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyWRQBBZBGPCVMKG-UHFFFAOYSA-N
XLogP2.22
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-3-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781994
3-[cyclohexyl(methyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780501
3-[cyclopropyl(3-methylbutyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 78950757
3-[2-hydroxyethyl(propyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780042
3-[2-methoxyethyl(methyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780750
3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 115986645
3-[2-cyanopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780785
3-[(2S)-2-aminopropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63790612
3-[cyclopentyl(ethyl)carbamoyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 63782142
(2S,4S)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 7437958
3-[(2S)-2-amino-3-methylbutanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 55235516
3-(piperidine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792541

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[cyclopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 63781419) is 3-[cyclopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[cyclopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[cyclopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)N(CC)C1CC1.
What is the InChIKey of 3-[cyclopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is WRQBBZBGPCVMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-3-5-11-15(10(8-19-11)12(16)17)13(18)14(4-2)9-6-7-9/h9-11H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 3-[cyclopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-[cyclopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 286.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63781419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).