(4E)-4-[(Z)-but-2-enylidene]-N-methyl-1,3-thiazol-5-imine

C8H10N2S — CID 118667083

IUPAC(4E)-4-[(Z)-but-2-enylidene]-N-methyl-1,3-thiazol-5-imine
SMILESC/C=C\C=C1\N=CS\C1=N/C
InChIInChI=1S/C8H10N2S/c1-3-4-5-7-8(9-2)11-6-10-7/h3-6H,1-2H3/b4-3-,7-5+,9-8-
InChIKeyOWPFXAXHJARDQF-QTJUKUHGSA-N
MW166.25 g/mol
LogP2.25
Rot. Bonds1

About (4E)-4-[(Z)-but-2-enylidene]-N-methyl-1,3-thiazol-5-imine

(4E)-4-[(Z)-but-2-enylidene]-N-methyl-1,3-thiazol-5-imine (PubChem CID 118667083) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is (4E)-4-[(Z)-but-2-enylidene]-N-methyl-1,3-thiazol-5-imine.

Molecular Properties

Compound Name(4E)-4-[(Z)-but-2-enylidene]-N-methyl-1,3-thiazol-5-imine
PubChem CID118667083
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name(4E)-4-[(Z)-but-2-enylidene]-N-methyl-1,3-thiazol-5-imine
SMILESC/C=C\C=C1\N=CS\C1=N/C
InChIInChI=1S/C8H10N2S/c1-3-4-5-7-8(9-2)11-6-10-7/h3-6H,1-2H3/b4-3-,7-5+,9-8-
InChIKeyOWPFXAXHJARDQF-QTJUKUHGSA-N
XLogP2.25
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(Z)-but-2-enylidene]-N-methyl-1,3-thiazol-5-imine?
The IUPAC name of (4E)-4-[(Z)-but-2-enylidene]-N-methyl-1,3-thiazol-5-imine (CID 118667083) is (4E)-4-[(Z)-but-2-enylidene]-N-methyl-1,3-thiazol-5-imine.
What is the SMILES notation for (4E)-4-[(Z)-but-2-enylidene]-N-methyl-1,3-thiazol-5-imine?
The canonical SMILES for (4E)-4-[(Z)-but-2-enylidene]-N-methyl-1,3-thiazol-5-imine is C/C=C\C=C1\N=CS\C1=N/C.
What is the InChIKey of (4E)-4-[(Z)-but-2-enylidene]-N-methyl-1,3-thiazol-5-imine?
The InChIKey is OWPFXAXHJARDQF-QTJUKUHGSA-N. The full InChI is InChI=1S/C8H10N2S/c1-3-4-5-7-8(9-2)11-6-10-7/h3-6H,1-2H3/b4-3-,7-5+,9-8-.
What are the key properties of (4E)-4-[(Z)-but-2-enylidene]-N-methyl-1,3-thiazol-5-imine?
(4E)-4-[(Z)-but-2-enylidene]-N-methyl-1,3-thiazol-5-imine has a molecular weight of 166.25 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(Z)-but-2-enylidene]-N-methyl-1,3-thiazol-5-imine is sourced from PubChem (CID 118667083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).