2-(3-ethoxypentan-3-yl)-5-methyl-1,3-thiazole

C11H19NOS — CID 116782789

IUPAC2-(3-ethoxypentan-3-yl)-5-methyl-1,3-thiazole
SMILESCCOC(CC)(CC)c1ncc(C)s1
InChIInChI=1S/C11H19NOS/c1-5-11(6-2,13-7-3)10-12-8-9(4)14-10/h8H,5-7H2,1-4H3
InChIKeyPHYBGSHLXNZRIG-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.50
Rot. Bonds5

About 2-(3-ethoxypentan-3-yl)-5-methyl-1,3-thiazole

2-(3-ethoxypentan-3-yl)-5-methyl-1,3-thiazole (PubChem CID 116782789) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-(3-ethoxypentan-3-yl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-ethoxypentan-3-yl)-5-methyl-1,3-thiazole
PubChem CID116782789
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name2-(3-ethoxypentan-3-yl)-5-methyl-1,3-thiazole
SMILESCCOC(CC)(CC)c1ncc(C)s1
InChIInChI=1S/C11H19NOS/c1-5-11(6-2,13-7-3)10-12-8-9(4)14-10/h8H,5-7H2,1-4H3
InChIKeyPHYBGSHLXNZRIG-UHFFFAOYSA-N
XLogP3.50
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypentan-3-yl)-5-methyl-1,3-thiazole?
The IUPAC name of 2-(3-ethoxypentan-3-yl)-5-methyl-1,3-thiazole (CID 116782789) is 2-(3-ethoxypentan-3-yl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-(3-ethoxypentan-3-yl)-5-methyl-1,3-thiazole?
The canonical SMILES for 2-(3-ethoxypentan-3-yl)-5-methyl-1,3-thiazole is CCOC(CC)(CC)c1ncc(C)s1.
What is the InChIKey of 2-(3-ethoxypentan-3-yl)-5-methyl-1,3-thiazole?
The InChIKey is PHYBGSHLXNZRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-5-11(6-2,13-7-3)10-12-8-9(4)14-10/h8H,5-7H2,1-4H3.
What are the key properties of 2-(3-ethoxypentan-3-yl)-5-methyl-1,3-thiazole?
2-(3-ethoxypentan-3-yl)-5-methyl-1,3-thiazole has a molecular weight of 213.35 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypentan-3-yl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 116782789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).