2-(5-ethoxy-2-methylpentyl)-1,3-thiazole

C11H19NOS — CID 175036689

IUPAC2-(5-ethoxy-2-methylpentyl)-1,3-thiazole
SMILESCCOCCCC(C)Cc1nccs1
InChIInChI=1S/C11H19NOS/c1-3-13-7-4-5-10(2)9-11-12-6-8-14-11/h6,8,10H,3-5,7,9H2,1-2H3
InChIKeyXYWMJLCXXZSHGN-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.14
Rot. Bonds7

About 2-(5-ethoxy-2-methylpentyl)-1,3-thiazole

2-(5-ethoxy-2-methylpentyl)-1,3-thiazole (PubChem CID 175036689) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-(5-ethoxy-2-methylpentyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(5-ethoxy-2-methylpentyl)-1,3-thiazole
PubChem CID175036689
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name2-(5-ethoxy-2-methylpentyl)-1,3-thiazole
SMILESCCOCCCC(C)Cc1nccs1
InChIInChI=1S/C11H19NOS/c1-3-13-7-4-5-10(2)9-11-12-6-8-14-11/h6,8,10H,3-5,7,9H2,1-2H3
InChIKeyXYWMJLCXXZSHGN-UHFFFAOYSA-N
XLogP3.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-2-methylpentyl)-1,3-thiazole?
The IUPAC name of 2-(5-ethoxy-2-methylpentyl)-1,3-thiazole (CID 175036689) is 2-(5-ethoxy-2-methylpentyl)-1,3-thiazole.
What is the SMILES notation for 2-(5-ethoxy-2-methylpentyl)-1,3-thiazole?
The canonical SMILES for 2-(5-ethoxy-2-methylpentyl)-1,3-thiazole is CCOCCCC(C)Cc1nccs1.
What is the InChIKey of 2-(5-ethoxy-2-methylpentyl)-1,3-thiazole?
The InChIKey is XYWMJLCXXZSHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-3-13-7-4-5-10(2)9-11-12-6-8-14-11/h6,8,10H,3-5,7,9H2,1-2H3.
What are the key properties of 2-(5-ethoxy-2-methylpentyl)-1,3-thiazole?
2-(5-ethoxy-2-methylpentyl)-1,3-thiazole has a molecular weight of 213.35 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-2-methylpentyl)-1,3-thiazole is sourced from PubChem (CID 175036689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).