3-(2-cyclohexylethylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid

C15H26N2O3S — CID 63781453

IUPAC3-(2-cyclohexylethylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)NCCC1CCCCC1
InChIInChI=1S/C15H26N2O3S/c1-2-13-17(12(10-21-13)14(18)19)15(20)16-9-8-11-6-4-3-5-7-11/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyKPFGVNAHNOWMSD-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.90
Rot. Bonds5

About 3-(2-cyclohexylethylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid

3-(2-cyclohexylethylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63781453) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 3-(2-cyclohexylethylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-cyclohexylethylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63781453
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name3-(2-cyclohexylethylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)NCCC1CCCCC1
InChIInChI=1S/C15H26N2O3S/c1-2-13-17(12(10-21-13)14(18)19)15(20)16-9-8-11-6-4-3-5-7-11/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyKPFGVNAHNOWMSD-UHFFFAOYSA-N
XLogP2.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792402
2-ethyl-3-(3,3,3-trifluoropropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63773946
3-(2-cyclopentylacetyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63791676
3-[3-(dimethylamino)propylcarbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63781580
2-ethyl-3-[(2-methylcyclopentyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 107419835
2-ethyl-3-(oxan-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63779576
2-ethyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63782148
2-ethyl-3-[(1-methylcyclopentyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63829278
3-(cyclohex-3-en-1-ylmethylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63781372
3-(2,3-dimethylbutylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 64597399
2-ethyl-3-[(1-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781183
2-ethyl-3-[(1-methylcyclopentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 64687275

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylethylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-cyclohexylethylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid (CID 63781453) is 3-(2-cyclohexylethylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-cyclohexylethylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-cyclohexylethylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)NCCC1CCCCC1.
What is the InChIKey of 3-(2-cyclohexylethylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is KPFGVNAHNOWMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-2-13-17(12(10-21-13)14(18)19)15(20)16-9-8-11-6-4-3-5-7-11/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 3-(2-cyclohexylethylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
3-(2-cyclohexylethylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 314.45 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylethylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63781453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).