2-ethyl-4-propoxy-1,3-thiazole

C8H13NOS — CID 166755384

IUPAC2-ethyl-4-propoxy-1,3-thiazole
SMILESCCCOc1csc(CC)n1
InChIInChI=1S/C8H13NOS/c1-3-5-10-7-6-11-8(4-2)9-7/h6H,3-5H2,1-2H3
InChIKeyFPKNJYZXWKMCQN-UHFFFAOYSA-N
MW171.27 g/mol
LogP2.49
Rot. Bonds4

About 2-ethyl-4-propoxy-1,3-thiazole

2-ethyl-4-propoxy-1,3-thiazole (PubChem CID 166755384) has the molecular formula C8H13NOS and a molecular weight of 171.27 g/mol. Its IUPAC name is 2-ethyl-4-propoxy-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-propoxy-1,3-thiazole
PubChem CID166755384
Molecular FormulaC8H13NOS
Molecular Weight171.27 g/mol
Exact Mass171.07
IUPAC Name2-ethyl-4-propoxy-1,3-thiazole
SMILESCCCOc1csc(CC)n1
InChIInChI=1S/C8H13NOS/c1-3-5-10-7-6-11-8(4-2)9-7/h6H,3-5H2,1-2H3
InChIKeyFPKNJYZXWKMCQN-UHFFFAOYSA-N
XLogP2.49
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-4-propoxy-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-propoxy-1,3-thiazole?
The IUPAC name of 2-ethyl-4-propoxy-1,3-thiazole (CID 166755384) is 2-ethyl-4-propoxy-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-propoxy-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-propoxy-1,3-thiazole is CCCOc1csc(CC)n1.
What is the InChIKey of 2-ethyl-4-propoxy-1,3-thiazole?
The InChIKey is FPKNJYZXWKMCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-3-5-10-7-6-11-8(4-2)9-7/h6H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-4-propoxy-1,3-thiazole?
2-ethyl-4-propoxy-1,3-thiazole has a molecular weight of 171.27 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-propoxy-1,3-thiazole is sourced from PubChem (CID 166755384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).