1,3-thiazol-5-ylmethyl cyclohexanecarboxylate

C11H15NO2S — CID 1488972

IUPAC1,3-thiazol-5-ylmethyl cyclohexanecarboxylate
SMILESO=C(OCc1cncs1)C1CCCCC1
InChIInChI=1S/C11H15NO2S/c13-11(9-4-2-1-3-5-9)14-7-10-6-12-8-15-10/h6,8-9H,1-5,7H2
InChIKeyLXGXMSPFDJJEJC-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.77
Rot. Bonds3

About 1,3-thiazol-5-ylmethyl cyclohexanecarboxylate

1,3-thiazol-5-ylmethyl cyclohexanecarboxylate (PubChem CID 1488972) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl cyclohexanecarboxylate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl cyclohexanecarboxylate
PubChem CID1488972
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1,3-thiazol-5-ylmethyl cyclohexanecarboxylate
SMILESO=C(OCc1cncs1)C1CCCCC1
InChIInChI=1S/C11H15NO2S/c13-11(9-4-2-1-3-5-9)14-7-10-6-12-8-15-10/h6,8-9H,1-5,7H2
InChIKeyLXGXMSPFDJJEJC-UHFFFAOYSA-N
XLogP2.77
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl cyclohexanecarboxylate?
The IUPAC name of 1,3-thiazol-5-ylmethyl cyclohexanecarboxylate (CID 1488972) is 1,3-thiazol-5-ylmethyl cyclohexanecarboxylate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl cyclohexanecarboxylate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl cyclohexanecarboxylate is O=C(OCc1cncs1)C1CCCCC1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl cyclohexanecarboxylate?
The InChIKey is LXGXMSPFDJJEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-11(9-4-2-1-3-5-9)14-7-10-6-12-8-15-10/h6,8-9H,1-5,7H2.
What are the key properties of 1,3-thiazol-5-ylmethyl cyclohexanecarboxylate?
1,3-thiazol-5-ylmethyl cyclohexanecarboxylate has a molecular weight of 225.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl cyclohexanecarboxylate is sourced from PubChem (CID 1488972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).