5-ethyl-2-(4-ethylcyclohexyl)-1,3-thiazole

C13H21NS — CID 70849842

IUPAC5-ethyl-2-(4-ethylcyclohexyl)-1,3-thiazole
SMILESCCc1cnc(C2CCC(CC)CC2)s1
InChIInChI=1S/C13H21NS/c1-3-10-5-7-11(8-6-10)13-14-9-12(4-2)15-13/h9-11H,3-8H2,1-2H3
InChIKeyCHZHHOPNFWBERP-UHFFFAOYSA-N
MW223.38 g/mol
LogP4.39
Rot. Bonds3

About 5-ethyl-2-(4-ethylcyclohexyl)-1,3-thiazole

5-ethyl-2-(4-ethylcyclohexyl)-1,3-thiazole (PubChem CID 70849842) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 5-ethyl-2-(4-ethylcyclohexyl)-1,3-thiazole.

Molecular Properties

Compound Name5-ethyl-2-(4-ethylcyclohexyl)-1,3-thiazole
PubChem CID70849842
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name5-ethyl-2-(4-ethylcyclohexyl)-1,3-thiazole
SMILESCCc1cnc(C2CCC(CC)CC2)s1
InChIInChI=1S/C13H21NS/c1-3-10-5-7-11(8-6-10)13-14-9-12(4-2)15-13/h9-11H,3-8H2,1-2H3
InChIKeyCHZHHOPNFWBERP-UHFFFAOYSA-N
XLogP4.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-ethylcyclohexyl)-1,3-thiazole?
The IUPAC name of 5-ethyl-2-(4-ethylcyclohexyl)-1,3-thiazole (CID 70849842) is 5-ethyl-2-(4-ethylcyclohexyl)-1,3-thiazole.
What is the SMILES notation for 5-ethyl-2-(4-ethylcyclohexyl)-1,3-thiazole?
The canonical SMILES for 5-ethyl-2-(4-ethylcyclohexyl)-1,3-thiazole is CCc1cnc(C2CCC(CC)CC2)s1.
What is the InChIKey of 5-ethyl-2-(4-ethylcyclohexyl)-1,3-thiazole?
The InChIKey is CHZHHOPNFWBERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-3-10-5-7-11(8-6-10)13-14-9-12(4-2)15-13/h9-11H,3-8H2,1-2H3.
What are the key properties of 5-ethyl-2-(4-ethylcyclohexyl)-1,3-thiazole?
5-ethyl-2-(4-ethylcyclohexyl)-1,3-thiazole has a molecular weight of 223.38 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-ethylcyclohexyl)-1,3-thiazole is sourced from PubChem (CID 70849842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).