2-(1-ethoxy-3-methylcyclohexyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid

C15H23NO4S — CID 114359987

IUPAC2-(1-ethoxy-3-methylcyclohexyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCOC1(c2nc(COC)c(C(=O)O)s2)CCCC(C)C1
InChIInChI=1S/C15H23NO4S/c1-4-20-15(7-5-6-10(2)8-15)14-16-11(9-19-3)12(21-14)13(17)18/h10H,4-9H2,1-3H3,(H,17,18)
InChIKeyFKUGFHPSLHLKEV-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.43
Rot. Bonds6

About 2-(1-ethoxy-3-methylcyclohexyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid

2-(1-ethoxy-3-methylcyclohexyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114359987) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-(1-ethoxy-3-methylcyclohexyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-ethoxy-3-methylcyclohexyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID114359987
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name2-(1-ethoxy-3-methylcyclohexyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCOC1(c2nc(COC)c(C(=O)O)s2)CCCC(C)C1
InChIInChI=1S/C15H23NO4S/c1-4-20-15(7-5-6-10(2)8-15)14-16-11(9-19-3)12(21-14)13(17)18/h10H,4-9H2,1-3H3,(H,17,18)
InChIKeyFKUGFHPSLHLKEV-UHFFFAOYSA-N
XLogP3.43
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-ethoxy-3-methylcyclohexyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-3-methylcyclohexyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1-ethoxy-3-methylcyclohexyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (CID 114359987) is 2-(1-ethoxy-3-methylcyclohexyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-ethoxy-3-methylcyclohexyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1-ethoxy-3-methylcyclohexyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is CCOC1(c2nc(COC)c(C(=O)O)s2)CCCC(C)C1.
What is the InChIKey of 2-(1-ethoxy-3-methylcyclohexyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is FKUGFHPSLHLKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-4-20-15(7-5-6-10(2)8-15)14-16-11(9-19-3)12(21-14)13(17)18/h10H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 2-(1-ethoxy-3-methylcyclohexyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
2-(1-ethoxy-3-methylcyclohexyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 313.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-3-methylcyclohexyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114359987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).