2-ethyl-3-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

C14H20N2O3S2 — CID 63781307

IUPAC2-ethyl-3-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)NC(C)c1ccc(C)s1
InChIInChI=1S/C14H20N2O3S2/c1-4-12-16(10(7-20-12)13(17)18)14(19)15-9(3)11-6-5-8(2)21-11/h5-6,9-10,12H,4,7H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyVBOAUIDFPVLXMF-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.07
Rot. Bonds4

About 2-ethyl-3-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

2-ethyl-3-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63781307) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-ethyl-3-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID63781307
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC Name2-ethyl-3-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)NC(C)c1ccc(C)s1
InChIInChI=1S/C14H20N2O3S2/c1-4-12-16(10(7-20-12)13(17)18)14(19)15-9(3)11-6-5-8(2)21-11/h5-6,9-10,12H,4,7H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyVBOAUIDFPVLXMF-UHFFFAOYSA-N
XLogP3.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780542
2-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63843413
2-ethyl-3-(1-methylsulfanylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 113472949
3-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63781123
2-ethyl-3-(1-ethylsulfanylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 113499285
2-ethyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792402
2-propyl-3-(1-thiophen-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63779950
3-(2,3-dimethylbutylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 64597399
2-ethyl-3-[(3-fluoro-2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63779580
2-ethyl-3-prop-2-enoyl-1,3-thiazolidine-4-carboxylic acid
CID 63791814
(2R,4R)-2-ethyl-3-(2-sulfanylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 133064143
3-[(3,4-dichlorophenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63782084

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 63781307) is 2-ethyl-3-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)NC(C)c1ccc(C)s1.
What is the InChIKey of 2-ethyl-3-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VBOAUIDFPVLXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c1-4-12-16(10(7-20-12)13(17)18)14(19)15-9(3)11-6-5-8(2)21-11/h5-6,9-10,12H,4,7H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-ethyl-3-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 328.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63781307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).