(4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-thiazole

C9H11NS — CID 89277021

IUPAC(4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-thiazole
SMILESC=c1sc(C)n/c1=C/C=C\C
InChIInChI=1S/C9H11NS/c1-4-5-6-9-7(2)11-8(3)10-9/h4-6H,2H2,1,3H3/b5-4-,9-6+
InChIKeyIOWKRYCQOIURNB-KMOPYBJPSA-N
MW165.26 g/mol
LogP1.22
Rot. Bonds1

About (4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-thiazole

(4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-thiazole (PubChem CID 89277021) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is (4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-thiazole.

Molecular Properties

Compound Name(4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-thiazole
PubChem CID89277021
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name(4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-thiazole
SMILESC=c1sc(C)n/c1=C/C=C\C
InChIInChI=1S/C9H11NS/c1-4-5-6-9-7(2)11-8(3)10-9/h4-6H,2H2,1,3H3/b5-4-,9-6+
InChIKeyIOWKRYCQOIURNB-KMOPYBJPSA-N
XLogP1.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 51.22
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-5-methylidene-1,3-thiazole?
The IUPAC name of (4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-thiazole (CID 89277021) is (4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-thiazole.
What is the SMILES notation for (4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-thiazole?
The canonical SMILES for (4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-thiazole is C=c1sc(C)n/c1=C/C=C\C.
What is the InChIKey of (4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-thiazole?
The InChIKey is IOWKRYCQOIURNB-KMOPYBJPSA-N. The full InChI is InChI=1S/C9H11NS/c1-4-5-6-9-7(2)11-8(3)10-9/h4-6H,2H2,1,3H3/b5-4-,9-6+.
What are the key properties of (4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-thiazole?
(4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-thiazole has a molecular weight of 165.26 g/mol, XLogP of 1.22, 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-5-methylidene-1,3-thiazole is sourced from PubChem (CID 89277021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).