(5E)-5-[(2Z)-penta-2,4-dienylidene]-4H-1,3-thiazole

C8H9NS — CID 88929695

IUPAC(5E)-5-[(2Z)-penta-2,4-dienylidene]-4H-1,3-thiazole
SMILESC=C/C=C\C=C1/CN=CS1
InChIInChI=1S/C8H9NS/c1-2-3-4-5-8-6-9-7-10-8/h2-5,7H,1,6H2/b4-3-,8-5+
InChIKeyDVMPOOFELFWLJV-HMRFFJRGSA-N
MW151.23 g/mol
LogP2.39
Rot. Bonds2

About (5E)-5-[(2Z)-penta-2,4-dienylidene]-4H-1,3-thiazole

(5E)-5-[(2Z)-penta-2,4-dienylidene]-4H-1,3-thiazole (PubChem CID 88929695) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is (5E)-5-[(2Z)-penta-2,4-dienylidene]-4H-1,3-thiazole.

Molecular Properties

Compound Name(5E)-5-[(2Z)-penta-2,4-dienylidene]-4H-1,3-thiazole
PubChem CID88929695
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name(5E)-5-[(2Z)-penta-2,4-dienylidene]-4H-1,3-thiazole
SMILESC=C/C=C\C=C1/CN=CS1
InChIInChI=1S/C8H9NS/c1-2-3-4-5-8-6-9-7-10-8/h2-5,7H,1,6H2/b4-3-,8-5+
InChIKeyDVMPOOFELFWLJV-HMRFFJRGSA-N
XLogP2.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.39
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 (5E)-5-[(2Z)-penta-2,4-dienylidene]-4H-1,3-thiazole?
The IUPAC name of (5E)-5-[(2Z)-penta-2,4-dienylidene]-4H-1,3-thiazole (CID 88929695) is (5E)-5-[(2Z)-penta-2,4-dienylidene]-4H-1,3-thiazole.
What is the SMILES notation for (5E)-5-[(2Z)-penta-2,4-dienylidene]-4H-1,3-thiazole?
The canonical SMILES for (5E)-5-[(2Z)-penta-2,4-dienylidene]-4H-1,3-thiazole is C=C/C=C\C=C1/CN=CS1.
What is the InChIKey of (5E)-5-[(2Z)-penta-2,4-dienylidene]-4H-1,3-thiazole?
The InChIKey is DVMPOOFELFWLJV-HMRFFJRGSA-N. The full InChI is InChI=1S/C8H9NS/c1-2-3-4-5-8-6-9-7-10-8/h2-5,7H,1,6H2/b4-3-,8-5+.
What are the key properties of (5E)-5-[(2Z)-penta-2,4-dienylidene]-4H-1,3-thiazole?
(5E)-5-[(2Z)-penta-2,4-dienylidene]-4H-1,3-thiazole has a molecular weight of 151.23 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2Z)-penta-2,4-dienylidene]-4H-1,3-thiazole is sourced from PubChem (CID 88929695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).