5-[(1Z)-buta-1,3-dienyl]-2,4-dimethyl-1,3-thiazole;ethane

C11H17NS — CID 143165209

IUPAC5-[(1Z)-buta-1,3-dienyl]-2,4-dimethyl-1,3-thiazole;ethane
SMILESC=C/C=C\c1sc(C)nc1C.CC
InChIInChI=1S/C9H11NS.C2H6/c1-4-5-6-9-7(2)10-8(3)11-9;1-2/h4-6H,1H2,2-3H3;1-2H3/b6-5-;
InChIKeyIBTFVFGCYFFPNX-YSMBQZINSA-N
MW195.33 g/mol
LogP3.99
Rot. Bonds2

About 5-[(1Z)-buta-1,3-dienyl]-2,4-dimethyl-1,3-thiazole;ethane

5-[(1Z)-buta-1,3-dienyl]-2,4-dimethyl-1,3-thiazole;ethane (PubChem CID 143165209) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-2,4-dimethyl-1,3-thiazole;ethane.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-2,4-dimethyl-1,3-thiazole;ethane
PubChem CID143165209
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-2,4-dimethyl-1,3-thiazole;ethane
SMILESC=C/C=C\c1sc(C)nc1C.CC
InChIInChI=1S/C9H11NS.C2H6/c1-4-5-6-9-7(2)10-8(3)11-9;1-2/h4-6H,1H2,2-3H3;1-2H3/b6-5-;
InChIKeyIBTFVFGCYFFPNX-YSMBQZINSA-N
XLogP3.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(1Z)-buta-1,3-dienyl]-2,4-dimethyl-1,3-thiazole;ethane 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 5-[(1Z)-buta-1,3-dienyl]-2,4-dimethyl-1,3-thiazole;ethane?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-2,4-dimethyl-1,3-thiazole;ethane (CID 143165209) is 5-[(1Z)-buta-1,3-dienyl]-2,4-dimethyl-1,3-thiazole;ethane.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-2,4-dimethyl-1,3-thiazole;ethane?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-2,4-dimethyl-1,3-thiazole;ethane is C=C/C=C\c1sc(C)nc1C.CC.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-2,4-dimethyl-1,3-thiazole;ethane?
The InChIKey is IBTFVFGCYFFPNX-YSMBQZINSA-N. The full InChI is InChI=1S/C9H11NS.C2H6/c1-4-5-6-9-7(2)10-8(3)11-9;1-2/h4-6H,1H2,2-3H3;1-2H3/b6-5-;.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-2,4-dimethyl-1,3-thiazole;ethane?
5-[(1Z)-buta-1,3-dienyl]-2,4-dimethyl-1,3-thiazole;ethane has a molecular weight of 195.33 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-buta-1,3-dienyl]-2,4-dimethyl-1,3-thiazole;ethane is sourced from PubChem (CID 143165209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).