(4E)-2-methyl-4-[(2Z)-penta-2,4-dienylidene]-1,3-thiazole

C9H11NS — CID 88886499

IUPAC(4E)-2-methyl-4-[(2Z)-penta-2,4-dienylidene]-1,3-thiazole
SMILESC=C/C=C\C=C1/CSC(C)=N1
InChIInChI=1S/C9H11NS/c1-3-4-5-6-9-7-11-8(2)10-9/h3-6H,1,7H2,2H3/b5-4-,9-6+
InChIKeyHYTGDWISGQNGHA-KMOPYBJPSA-N
MW165.26 g/mol
LogP2.78
Rot. Bonds2

About (4E)-2-methyl-4-[(2Z)-penta-2,4-dienylidene]-1,3-thiazole

(4E)-2-methyl-4-[(2Z)-penta-2,4-dienylidene]-1,3-thiazole (PubChem CID 88886499) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is (4E)-2-methyl-4-[(2Z)-penta-2,4-dienylidene]-1,3-thiazole.

Molecular Properties

Compound Name(4E)-2-methyl-4-[(2Z)-penta-2,4-dienylidene]-1,3-thiazole
PubChem CID88886499
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name(4E)-2-methyl-4-[(2Z)-penta-2,4-dienylidene]-1,3-thiazole
SMILESC=C/C=C\C=C1/CSC(C)=N1
InChIInChI=1S/C9H11NS/c1-3-4-5-6-9-7-11-8(2)10-9/h3-6H,1,7H2,2H3/b5-4-,9-6+
InChIKeyHYTGDWISGQNGHA-KMOPYBJPSA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-2-methyl-4-[(2Z)-penta-2,4-dienylidene]-1,3-thiazole?
The IUPAC name of (4E)-2-methyl-4-[(2Z)-penta-2,4-dienylidene]-1,3-thiazole (CID 88886499) is (4E)-2-methyl-4-[(2Z)-penta-2,4-dienylidene]-1,3-thiazole.
What is the SMILES notation for (4E)-2-methyl-4-[(2Z)-penta-2,4-dienylidene]-1,3-thiazole?
The canonical SMILES for (4E)-2-methyl-4-[(2Z)-penta-2,4-dienylidene]-1,3-thiazole is C=C/C=C\C=C1/CSC(C)=N1.
What is the InChIKey of (4E)-2-methyl-4-[(2Z)-penta-2,4-dienylidene]-1,3-thiazole?
The InChIKey is HYTGDWISGQNGHA-KMOPYBJPSA-N. The full InChI is InChI=1S/C9H11NS/c1-3-4-5-6-9-7-11-8(2)10-9/h3-6H,1,7H2,2H3/b5-4-,9-6+.
What are the key properties of (4E)-2-methyl-4-[(2Z)-penta-2,4-dienylidene]-1,3-thiazole?
(4E)-2-methyl-4-[(2Z)-penta-2,4-dienylidene]-1,3-thiazole has a molecular weight of 165.26 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-methyl-4-[(2Z)-penta-2,4-dienylidene]-1,3-thiazole is sourced from PubChem (CID 88886499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).