2-cyclohexyl-4-methyl-1,3-thiazole-5-carboxylic acid

C11H15NO2S — CID 23020345

IUPAC2-cyclohexyl-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C2CCCCC2)sc1C(=O)O
InChIInChI=1S/C11H15NO2S/c1-7-9(11(13)14)15-10(12-7)8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,13,14)
InChIKeyJIDVCEPMJHOXPB-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.20
Rot. Bonds2

About 2-cyclohexyl-4-methyl-1,3-thiazole-5-carboxylic acid

2-cyclohexyl-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 23020345) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-cyclohexyl-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclohexyl-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID23020345
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-cyclohexyl-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C2CCCCC2)sc1C(=O)O
InChIInChI=1S/C11H15NO2S/c1-7-9(11(13)14)15-10(12-7)8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,13,14)
InChIKeyJIDVCEPMJHOXPB-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-cyclohexyl-4-methyl-1,3-thiazole-5-carboxylic acid (CID 23020345) is 2-cyclohexyl-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-cyclohexyl-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-cyclohexyl-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(C2CCCCC2)sc1C(=O)O.
What is the InChIKey of 2-cyclohexyl-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is JIDVCEPMJHOXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-7-9(11(13)14)15-10(12-7)8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,13,14).
What are the key properties of 2-cyclohexyl-4-methyl-1,3-thiazole-5-carboxylic acid?
2-cyclohexyl-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 225.31 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 23020345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).