5-acetyl-2-(1-ethoxycyclohexyl)-1,3-thiazole-4-carboxylic acid

C14H19NO4S — CID 106696270

IUPAC5-acetyl-2-(1-ethoxycyclohexyl)-1,3-thiazole-4-carboxylic acid
SMILESCCOC1(c2nc(C(=O)O)c(C(C)=O)s2)CCCCC1
InChIInChI=1S/C14H19NO4S/c1-3-19-14(7-5-4-6-8-14)13-15-10(12(17)18)11(20-13)9(2)16/h3-8H2,1-2H3,(H,17,18)
InChIKeyRNUSPDROOZVRAF-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.24
Rot. Bonds5

About 5-acetyl-2-(1-ethoxycyclohexyl)-1,3-thiazole-4-carboxylic acid

5-acetyl-2-(1-ethoxycyclohexyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 106696270) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-acetyl-2-(1-ethoxycyclohexyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-(1-ethoxycyclohexyl)-1,3-thiazole-4-carboxylic acid
PubChem CID106696270
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name5-acetyl-2-(1-ethoxycyclohexyl)-1,3-thiazole-4-carboxylic acid
SMILESCCOC1(c2nc(C(=O)O)c(C(C)=O)s2)CCCCC1
InChIInChI=1S/C14H19NO4S/c1-3-19-14(7-5-4-6-8-14)13-15-10(12(17)18)11(20-13)9(2)16/h3-8H2,1-2H3,(H,17,18)
InChIKeyRNUSPDROOZVRAF-UHFFFAOYSA-N
XLogP3.24
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(1-ethoxycyclohexyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-(1-ethoxycyclohexyl)-1,3-thiazole-4-carboxylic acid (CID 106696270) is 5-acetyl-2-(1-ethoxycyclohexyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-(1-ethoxycyclohexyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-(1-ethoxycyclohexyl)-1,3-thiazole-4-carboxylic acid is CCOC1(c2nc(C(=O)O)c(C(C)=O)s2)CCCCC1.
What is the InChIKey of 5-acetyl-2-(1-ethoxycyclohexyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is RNUSPDROOZVRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-3-19-14(7-5-4-6-8-14)13-15-10(12(17)18)11(20-13)9(2)16/h3-8H2,1-2H3,(H,17,18).
What are the key properties of 5-acetyl-2-(1-ethoxycyclohexyl)-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-(1-ethoxycyclohexyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(1-ethoxycyclohexyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106696270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).