2,4,5-trimethyl-1,1-dimethylidene-1,3-thiazole

C8H13NS — CID 89005494

IUPAC2,4,5-trimethyl-1,1-dimethylidene-1,3-thiazole
SMILESC=S1(=C)C(C)=NC(C)=C1C
InChIInChI=1S/C8H13NS/c1-6-7(2)10(4,5)8(3)9-6/h4-5H2,1-3H3
InChIKeyOFQQPXUMPHDVAD-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.34
Rot. Bonds

About 2,4,5-trimethyl-1,1-dimethylidene-1,3-thiazole

2,4,5-trimethyl-1,1-dimethylidene-1,3-thiazole (PubChem CID 89005494) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2,4,5-trimethyl-1,1-dimethylidene-1,3-thiazole.

Molecular Properties

Compound Name2,4,5-trimethyl-1,1-dimethylidene-1,3-thiazole
PubChem CID89005494
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2,4,5-trimethyl-1,1-dimethylidene-1,3-thiazole
SMILESC=S1(=C)C(C)=NC(C)=C1C
InChIInChI=1S/C8H13NS/c1-6-7(2)10(4,5)8(3)9-6/h4-5H2,1-3H3
InChIKeyOFQQPXUMPHDVAD-UHFFFAOYSA-N
XLogP2.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4,5-trimethyl-1,1-dimethylidene-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 2,4,5-trimethyl-1,1-dimethylidene-1,3-thiazole?
The IUPAC name of 2,4,5-trimethyl-1,1-dimethylidene-1,3-thiazole (CID 89005494) is 2,4,5-trimethyl-1,1-dimethylidene-1,3-thiazole.
What is the SMILES notation for 2,4,5-trimethyl-1,1-dimethylidene-1,3-thiazole?
The canonical SMILES for 2,4,5-trimethyl-1,1-dimethylidene-1,3-thiazole is C=S1(=C)C(C)=NC(C)=C1C.
What is the InChIKey of 2,4,5-trimethyl-1,1-dimethylidene-1,3-thiazole?
The InChIKey is OFQQPXUMPHDVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-6-7(2)10(4,5)8(3)9-6/h4-5H2,1-3H3.
What are the key properties of 2,4,5-trimethyl-1,1-dimethylidene-1,3-thiazole?
2,4,5-trimethyl-1,1-dimethylidene-1,3-thiazole has a molecular weight of 155.27 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-1,1-dimethylidene-1,3-thiazole is sourced from PubChem (CID 89005494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).