(4E)-4-[(Z)-but-2-enylidene]-2-methyl-1,3-thiazole

C8H11NS — CID 88886489

IUPAC(4E)-4-[(Z)-but-2-enylidene]-2-methyl-1,3-thiazole
SMILESC/C=C\C=C1/CSC(C)=N1
InChIInChI=1S/C8H11NS/c1-3-4-5-8-6-10-7(2)9-8/h3-5H,6H2,1-2H3/b4-3-,8-5+
InChIKeyXTEFWAXJFVFBTH-HMRFFJRGSA-N
MW153.25 g/mol
LogP2.61
Rot. Bonds1

About (4E)-4-[(Z)-but-2-enylidene]-2-methyl-1,3-thiazole

(4E)-4-[(Z)-but-2-enylidene]-2-methyl-1,3-thiazole (PubChem CID 88886489) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is (4E)-4-[(Z)-but-2-enylidene]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name(4E)-4-[(Z)-but-2-enylidene]-2-methyl-1,3-thiazole
PubChem CID88886489
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name(4E)-4-[(Z)-but-2-enylidene]-2-methyl-1,3-thiazole
SMILESC/C=C\C=C1/CSC(C)=N1
InChIInChI=1S/C8H11NS/c1-3-4-5-8-6-10-7(2)9-8/h3-5H,6H2,1-2H3/b4-3-,8-5+
InChIKeyXTEFWAXJFVFBTH-HMRFFJRGSA-N
XLogP2.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(Z)-but-2-enylidene]-2-methyl-1,3-thiazole?
The IUPAC name of (4E)-4-[(Z)-but-2-enylidene]-2-methyl-1,3-thiazole (CID 88886489) is (4E)-4-[(Z)-but-2-enylidene]-2-methyl-1,3-thiazole.
What is the SMILES notation for (4E)-4-[(Z)-but-2-enylidene]-2-methyl-1,3-thiazole?
The canonical SMILES for (4E)-4-[(Z)-but-2-enylidene]-2-methyl-1,3-thiazole is C/C=C\C=C1/CSC(C)=N1.
What is the InChIKey of (4E)-4-[(Z)-but-2-enylidene]-2-methyl-1,3-thiazole?
The InChIKey is XTEFWAXJFVFBTH-HMRFFJRGSA-N. The full InChI is InChI=1S/C8H11NS/c1-3-4-5-8-6-10-7(2)9-8/h3-5H,6H2,1-2H3/b4-3-,8-5+.
What are the key properties of (4E)-4-[(Z)-but-2-enylidene]-2-methyl-1,3-thiazole?
(4E)-4-[(Z)-but-2-enylidene]-2-methyl-1,3-thiazole has a molecular weight of 153.25 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(Z)-but-2-enylidene]-2-methyl-1,3-thiazole is sourced from PubChem (CID 88886489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).