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

C15H26N2O3S — CID 63780937

IUPAC2-ethyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)N(C)C1CCCC(C)C1
InChIInChI=1S/C15H26N2O3S/c1-4-13-17(12(9-21-13)14(18)19)15(20)16(3)11-7-5-6-10(2)8-11/h10-13H,4-9H2,1-3H3,(H,18,19)
InChIKeyFFXJOAXHGAGHBF-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.86
Rot. Bonds3

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

2-ethyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780937) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-ethyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780937
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name2-ethyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)N(C)C1CCCC(C)C1
InChIInChI=1S/C15H26N2O3S/c1-4-13-17(12(9-21-13)14(18)19)15(20)16(3)11-7-5-6-10(2)8-11/h10-13H,4-9H2,1-3H3,(H,18,19)
InChIKeyFFXJOAXHGAGHBF-UHFFFAOYSA-N
XLogP2.86
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclohexyl(methyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63780503
2-methyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780755
3-[cyclohexyl(methyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780501
2-ethyl-3-[methyl-(2-methyloxolan-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 82743062
2-ethyl-3-[methyl(2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780350
2-ethyl-3-[1-hydroxypropan-2-yl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 104553162
3-[cyclopropyl(3-methylbutyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 78950757
3-[2,2-dimethylpropyl(methyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63781187
2-ethyl-3-[methyl(pentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781779
2-ethyl-3-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781994
(2R)-1-[methyl-(3-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922898
2-ethyl-3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 112662886

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 63780937) is 2-ethyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)N(C)C1CCCC(C)C1.
What is the InChIKey of 2-ethyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FFXJOAXHGAGHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-13-17(12(9-21-13)14(18)19)15(20)16(3)11-7-5-6-10(2)8-11/h10-13H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 2-ethyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 314.45 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).