4-(cyclohexylmethyl)-1,3-thiazole-2-carboxylic acid

C11H15NO2S — CID 174749610

IUPAC4-(cyclohexylmethyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(CC2CCCCC2)cs1
InChIInChI=1S/C11H15NO2S/c13-11(14)10-12-9(7-15-10)6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,13,14)
InChIKeyHNQUUWZHQULICH-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.96
Rot. Bonds3

About 4-(cyclohexylmethyl)-1,3-thiazole-2-carboxylic acid

4-(cyclohexylmethyl)-1,3-thiazole-2-carboxylic acid (PubChem CID 174749610) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-1,3-thiazole-2-carboxylic acid
PubChem CID174749610
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name4-(cyclohexylmethyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(CC2CCCCC2)cs1
InChIInChI=1S/C11H15NO2S/c13-11(14)10-12-9(7-15-10)6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,13,14)
InChIKeyHNQUUWZHQULICH-UHFFFAOYSA-N
XLogP2.96
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-(cyclohexylmethyl)-1,3-thiazole-2-carboxylic acid (CID 174749610) is 4-(cyclohexylmethyl)-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-(cyclohexylmethyl)-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-(cyclohexylmethyl)-1,3-thiazole-2-carboxylic acid is O=C(O)c1nc(CC2CCCCC2)cs1.
What is the InChIKey of 4-(cyclohexylmethyl)-1,3-thiazole-2-carboxylic acid?
The InChIKey is HNQUUWZHQULICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-11(14)10-12-9(7-15-10)6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,13,14).
What are the key properties of 4-(cyclohexylmethyl)-1,3-thiazole-2-carboxylic acid?
4-(cyclohexylmethyl)-1,3-thiazole-2-carboxylic acid has a molecular weight of 225.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 174749610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).