2-ethyl-3-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C14H20N2O4S — CID 63793055

IUPAC2-ethyl-3-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)c1c(C)noc1C(C)C
InChIInChI=1S/C14H20N2O4S/c1-5-10-16(9(6-21-10)14(18)19)13(17)11-8(4)15-20-12(11)7(2)3/h7,9-10H,5-6H2,1-4H3,(H,18,19)
InChIKeyIJVXQSHUSMOQPM-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.48
Rot. Bonds4

About 2-ethyl-3-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

2-ethyl-3-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63793055) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-ethyl-3-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63793055
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-ethyl-3-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)c1c(C)noc1C(C)C
InChIInChI=1S/C14H20N2O4S/c1-5-10-16(9(6-21-10)14(18)19)13(17)11-8(4)15-20-12(11)7(2)3/h7,9-10H,5-6H2,1-4H3,(H,18,19)
InChIKeyIJVXQSHUSMOQPM-UHFFFAOYSA-N
XLogP2.48
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-3-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid with MolForge

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Related Compounds

(2,6-dimethylpiperidin-1-yl)-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 110675292
3-(3,5-dimethylbenzoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63792348
2-ethyl-3-(2-fluoro-6-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107013591
4-methyl-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid
CID 114421398
3-(3,5-dibromobenzoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 107971445
(2R,4R)-2-ethyl-3-(2-sulfanylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 133064143
2-ethyl-3-(3-methylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792553
2-ethyl-3-(4-fluoro-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792343
3-[(2R)-2-amino-3-methylbutanoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 79013021
3-(3,5-difluorobenzoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63792890
2-ethyl-3-(3-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 103510557
2-ethyl-3-(1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 103116824

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 63793055) is 2-ethyl-3-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)c1c(C)noc1C(C)C.
What is the InChIKey of 2-ethyl-3-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is IJVXQSHUSMOQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-5-10-16(9(6-21-10)14(18)19)13(17)11-8(4)15-20-12(11)7(2)3/h7,9-10H,5-6H2,1-4H3,(H,18,19).
What are the key properties of 2-ethyl-3-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 312.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63793055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).