3-ethyl-2-ethylidene-4-methyl-1,3-thiazole

C8H13NS — CID 89288709

IUPAC3-ethyl-2-ethylidene-4-methyl-1,3-thiazole
SMILESCC=C1SC=C(C)N1CC
InChIInChI=1S/C8H13NS/c1-4-8-9(5-2)7(3)6-10-8/h4,6H,5H2,1-3H3
InChIKeyJRZNCWWJBDMWCP-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.78
Rot. Bonds1

About 3-ethyl-2-ethylidene-4-methyl-1,3-thiazole

3-ethyl-2-ethylidene-4-methyl-1,3-thiazole (PubChem CID 89288709) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 3-ethyl-2-ethylidene-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name3-ethyl-2-ethylidene-4-methyl-1,3-thiazole
PubChem CID89288709
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name3-ethyl-2-ethylidene-4-methyl-1,3-thiazole
SMILESCC=C1SC=C(C)N1CC
InChIInChI=1S/C8H13NS/c1-4-8-9(5-2)7(3)6-10-8/h4,6H,5H2,1-3H3
InChIKeyJRZNCWWJBDMWCP-UHFFFAOYSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-2-ethylidene-4-methyl-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 3-ethyl-2-ethylidene-4-methyl-1,3-thiazole?
The IUPAC name of 3-ethyl-2-ethylidene-4-methyl-1,3-thiazole (CID 89288709) is 3-ethyl-2-ethylidene-4-methyl-1,3-thiazole.
What is the SMILES notation for 3-ethyl-2-ethylidene-4-methyl-1,3-thiazole?
The canonical SMILES for 3-ethyl-2-ethylidene-4-methyl-1,3-thiazole is CC=C1SC=C(C)N1CC.
What is the InChIKey of 3-ethyl-2-ethylidene-4-methyl-1,3-thiazole?
The InChIKey is JRZNCWWJBDMWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-4-8-9(5-2)7(3)6-10-8/h4,6H,5H2,1-3H3.
What are the key properties of 3-ethyl-2-ethylidene-4-methyl-1,3-thiazole?
3-ethyl-2-ethylidene-4-methyl-1,3-thiazole has a molecular weight of 155.27 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-ethylidene-4-methyl-1,3-thiazole is sourced from PubChem (CID 89288709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).