2-methyl-1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid

C11H15NO2S — CID 67257402

IUPAC2-methyl-1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(C(=O)O)c1nccs1
InChIInChI=1S/C11H15NO2S/c1-8-4-2-3-5-11(8,10(13)14)9-12-6-7-15-9/h6-8H,2-5H2,1H3,(H,13,14)
InChIKeyRRRQLYYNQLJUDB-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.68
Rot. Bonds2

About 2-methyl-1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid

2-methyl-1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 67257402) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-methyl-1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid
PubChem CID67257402
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-methyl-1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(C(=O)O)c1nccs1
InChIInChI=1S/C11H15NO2S/c1-8-4-2-3-5-11(8,10(13)14)9-12-6-7-15-9/h6-8H,2-5H2,1H3,(H,13,14)
InChIKeyRRRQLYYNQLJUDB-UHFFFAOYSA-N
XLogP2.68
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid (CID 67257402) is 2-methyl-1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid is CC1CCCCC1(C(=O)O)c1nccs1.
What is the InChIKey of 2-methyl-1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is RRRQLYYNQLJUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8-4-2-3-5-11(8,10(13)14)9-12-6-7-15-9/h6-8H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-methyl-1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid?
2-methyl-1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 225.31 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 67257402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).