2-ethyl-3-[methyl(2-thiophen-2-ylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

C14H20N2O3S2 — CID 79488714

IUPAC2-ethyl-3-[methyl(2-thiophen-2-ylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)N(C)CCc1cccs1
InChIInChI=1S/C14H20N2O3S2/c1-3-12-16(11(9-21-12)13(17)18)14(19)15(2)7-6-10-5-4-8-20-10/h4-5,8,11-12H,3,6-7,9H2,1-2H3,(H,17,18)
InChIKeyZIUYBJYXPOQUEK-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.58
Rot. Bonds5

About 2-ethyl-3-[methyl(2-thiophen-2-ylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

2-ethyl-3-[methyl(2-thiophen-2-ylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 79488714) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-ethyl-3-[methyl(2-thiophen-2-ylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-[methyl(2-thiophen-2-ylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID79488714
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC Name2-ethyl-3-[methyl(2-thiophen-2-ylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)N(C)CCc1cccs1
InChIInChI=1S/C14H20N2O3S2/c1-3-12-16(11(9-21-12)13(17)18)14(19)15(2)7-6-10-5-4-8-20-10/h4-5,8,11-12H,3,6-7,9H2,1-2H3,(H,17,18)
InChIKeyZIUYBJYXPOQUEK-UHFFFAOYSA-N
XLogP2.58
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-3-[methyl(pentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781779
2-ethyl-3-[methyl(pyridin-3-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780902
2-ethyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780542
2-ethyl-3-[(3-hydroxyphenyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 107737186
2-[1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609917
2-ethyl-3-[1-hydroxypropan-2-yl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 104553162
2-cyclopropyl-3-(3-thiophen-2-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781077
2-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethoxy]acetic acid
CID 79476518
4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexane-1-carboxylic acid
CID 115149148
3-methyl-5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79475565
N-methyl-N-(2-thiophen-2-ylethyl)cyclopentanecarboxamide
CID 110733430
5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79476519

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[methyl(2-thiophen-2-ylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-[methyl(2-thiophen-2-ylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 79488714) is 2-ethyl-3-[methyl(2-thiophen-2-ylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-[methyl(2-thiophen-2-ylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-[methyl(2-thiophen-2-ylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)N(C)CCc1cccs1.
What is the InChIKey of 2-ethyl-3-[methyl(2-thiophen-2-ylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZIUYBJYXPOQUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c1-3-12-16(11(9-21-12)13(17)18)14(19)15(2)7-6-10-5-4-8-20-10/h4-5,8,11-12H,3,6-7,9H2,1-2H3,(H,17,18).
What are the key properties of 2-ethyl-3-[methyl(2-thiophen-2-ylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-[methyl(2-thiophen-2-ylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 328.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[methyl(2-thiophen-2-ylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 79488714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).