2-(4-cyclohexyl-1,3-thiazol-2-yl)acetic acid

C11H15NO2S — CID 3943457

IUPAC2-(4-cyclohexyl-1,3-thiazol-2-yl)acetic acid
SMILESO=C(O)Cc1nc(C2CCCCC2)cs1
InChIInChI=1S/C11H15NO2S/c13-11(14)6-10-12-9(7-15-10)8-4-2-1-3-5-8/h7-8H,1-6H2,(H,13,14)
InChIKeyXFYFNRGNYTZTSI-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.82
Rot. Bonds3

About 2-(4-cyclohexyl-1,3-thiazol-2-yl)acetic acid

2-(4-cyclohexyl-1,3-thiazol-2-yl)acetic acid (PubChem CID 3943457) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-(4-cyclohexyl-1,3-thiazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-cyclohexyl-1,3-thiazol-2-yl)acetic acid
PubChem CID3943457
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-(4-cyclohexyl-1,3-thiazol-2-yl)acetic acid
SMILESO=C(O)Cc1nc(C2CCCCC2)cs1
InChIInChI=1S/C11H15NO2S/c13-11(14)6-10-12-9(7-15-10)8-4-2-1-3-5-8/h7-8H,1-6H2,(H,13,14)
InChIKeyXFYFNRGNYTZTSI-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyl-1,3-thiazol-2-yl)acetic acid?
The IUPAC name of 2-(4-cyclohexyl-1,3-thiazol-2-yl)acetic acid (CID 3943457) is 2-(4-cyclohexyl-1,3-thiazol-2-yl)acetic acid.
What is the SMILES notation for 2-(4-cyclohexyl-1,3-thiazol-2-yl)acetic acid?
The canonical SMILES for 2-(4-cyclohexyl-1,3-thiazol-2-yl)acetic acid is O=C(O)Cc1nc(C2CCCCC2)cs1.
What is the InChIKey of 2-(4-cyclohexyl-1,3-thiazol-2-yl)acetic acid?
The InChIKey is XFYFNRGNYTZTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-11(14)6-10-12-9(7-15-10)8-4-2-1-3-5-8/h7-8H,1-6H2,(H,13,14).
What are the key properties of 2-(4-cyclohexyl-1,3-thiazol-2-yl)acetic acid?
2-(4-cyclohexyl-1,3-thiazol-2-yl)acetic acid has a molecular weight of 225.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyl-1,3-thiazol-2-yl)acetic acid is sourced from PubChem (CID 3943457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).