(5Z)-4-methyl-5-[(Z)-pent-3-enylidene]-4H-1,3-thiazole

C9H13NS — CID 130413606

IUPAC(5Z)-4-methyl-5-[(Z)-pent-3-enylidene]-4H-1,3-thiazole
SMILESC/C=C\C/C=C1\SC=NC1C
InChIInChI=1S/C9H13NS/c1-3-4-5-6-9-8(2)10-7-11-9/h3-4,6-8H,5H2,1-2H3/b4-3-,9-6-
InChIKeyJVKRINJATFQHJV-UBCGXMOYSA-N
MW167.28 g/mol
LogP3.00
Rot. Bonds2

About (5Z)-4-methyl-5-[(Z)-pent-3-enylidene]-4H-1,3-thiazole

(5Z)-4-methyl-5-[(Z)-pent-3-enylidene]-4H-1,3-thiazole (PubChem CID 130413606) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is (5Z)-4-methyl-5-[(Z)-pent-3-enylidene]-4H-1,3-thiazole.

Molecular Properties

Compound Name(5Z)-4-methyl-5-[(Z)-pent-3-enylidene]-4H-1,3-thiazole
PubChem CID130413606
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name(5Z)-4-methyl-5-[(Z)-pent-3-enylidene]-4H-1,3-thiazole
SMILESC/C=C\C/C=C1\SC=NC1C
InChIInChI=1S/C9H13NS/c1-3-4-5-6-9-8(2)10-7-11-9/h3-4,6-8H,5H2,1-2H3/b4-3-,9-6-
InChIKeyJVKRINJATFQHJV-UBCGXMOYSA-N
XLogP3.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-4-methyl-5-[(Z)-pent-3-enylidene]-4H-1,3-thiazole?
The IUPAC name of (5Z)-4-methyl-5-[(Z)-pent-3-enylidene]-4H-1,3-thiazole (CID 130413606) is (5Z)-4-methyl-5-[(Z)-pent-3-enylidene]-4H-1,3-thiazole.
What is the SMILES notation for (5Z)-4-methyl-5-[(Z)-pent-3-enylidene]-4H-1,3-thiazole?
The canonical SMILES for (5Z)-4-methyl-5-[(Z)-pent-3-enylidene]-4H-1,3-thiazole is C/C=C\C/C=C1\SC=NC1C.
What is the InChIKey of (5Z)-4-methyl-5-[(Z)-pent-3-enylidene]-4H-1,3-thiazole?
The InChIKey is JVKRINJATFQHJV-UBCGXMOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-3-4-5-6-9-8(2)10-7-11-9/h3-4,6-8H,5H2,1-2H3/b4-3-,9-6-.
What are the key properties of (5Z)-4-methyl-5-[(Z)-pent-3-enylidene]-4H-1,3-thiazole?
(5Z)-4-methyl-5-[(Z)-pent-3-enylidene]-4H-1,3-thiazole has a molecular weight of 167.28 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-methyl-5-[(Z)-pent-3-enylidene]-4H-1,3-thiazole is sourced from PubChem (CID 130413606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).