2-[cyclobutyl(ethoxy)methyl]-5-methyl-1,3-thiazole

C11H17NOS — CID 70973780

IUPAC2-[cyclobutyl(ethoxy)methyl]-5-methyl-1,3-thiazole
SMILESCCOC(c1ncc(C)s1)C1CCC1
InChIInChI=1S/C11H17NOS/c1-3-13-10(9-5-4-6-9)11-12-7-8(2)14-11/h7,9-10H,3-6H2,1-2H3
InChIKeyLOHFWNNSVHEECJ-UHFFFAOYSA-N
MW211.33 g/mol
LogP3.33
Rot. Bonds4

About 2-[cyclobutyl(ethoxy)methyl]-5-methyl-1,3-thiazole

2-[cyclobutyl(ethoxy)methyl]-5-methyl-1,3-thiazole (PubChem CID 70973780) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-[cyclobutyl(ethoxy)methyl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[cyclobutyl(ethoxy)methyl]-5-methyl-1,3-thiazole
PubChem CID70973780
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-[cyclobutyl(ethoxy)methyl]-5-methyl-1,3-thiazole
SMILESCCOC(c1ncc(C)s1)C1CCC1
InChIInChI=1S/C11H17NOS/c1-3-13-10(9-5-4-6-9)11-12-7-8(2)14-11/h7,9-10H,3-6H2,1-2H3
InChIKeyLOHFWNNSVHEECJ-UHFFFAOYSA-N
XLogP3.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(ethoxy)methyl]-5-methyl-1,3-thiazole?
The IUPAC name of 2-[cyclobutyl(ethoxy)methyl]-5-methyl-1,3-thiazole (CID 70973780) is 2-[cyclobutyl(ethoxy)methyl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-[cyclobutyl(ethoxy)methyl]-5-methyl-1,3-thiazole?
The canonical SMILES for 2-[cyclobutyl(ethoxy)methyl]-5-methyl-1,3-thiazole is CCOC(c1ncc(C)s1)C1CCC1.
What is the InChIKey of 2-[cyclobutyl(ethoxy)methyl]-5-methyl-1,3-thiazole?
The InChIKey is LOHFWNNSVHEECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-3-13-10(9-5-4-6-9)11-12-7-8(2)14-11/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 2-[cyclobutyl(ethoxy)methyl]-5-methyl-1,3-thiazole?
2-[cyclobutyl(ethoxy)methyl]-5-methyl-1,3-thiazole has a molecular weight of 211.33 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(ethoxy)methyl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 70973780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).