4-but-2-enylidene-N-methyl-1,3-thiazol-5-imine

C8H10N2S — CID 90764624

IUPAC4-but-2-enylidene-N-methyl-1,3-thiazol-5-imine
SMILESCC=CC=C1N=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-BUZPJLGZSA-N
MW166.25 g/mol
LogP2.25
Rot. Bonds1

About 4-but-2-enylidene-N-methyl-1,3-thiazol-5-imine

4-but-2-enylidene-N-methyl-1,3-thiazol-5-imine (PubChem CID 90764624) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 4-but-2-enylidene-N-methyl-1,3-thiazol-5-imine.

Molecular Properties

Compound Name4-but-2-enylidene-N-methyl-1,3-thiazol-5-imine
PubChem CID90764624
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name4-but-2-enylidene-N-methyl-1,3-thiazol-5-imine
SMILESCC=CC=C1N=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-BUZPJLGZSA-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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Related Compounds

N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine
CID 91101949
N-butyl-4-prop-2-enylidene-1,3-thiazol-5-imine
CID 91295431
(4E)-4-[(Z)-but-2-enylidene]-N-methyl-1,3-thiazol-5-imine
CID 118667083
5-Ethylidene-4-prop-2-enylidene-1,3-thiazole
CID 123457592
(4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-thiazole
CID 124173797
(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-thiazole
CID 138519855
(4E)-N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine
CID 139417005
(4E,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-1,3-thiazole
CID 142260644
ethane;(5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole
CID 142875396
(4E,5E)-5-[(Z)-but-2-enylidene]-4-prop-2-enylidene-1,3-thiazole;ethane
CID 143197379
(4E,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidene-1,3-thiazole
CID 143246959
ethane;(4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-thiazole
CID 143460094

Frequently Asked Questions

What is the IUPAC name of 4-but-2-enylidene-N-methyl-1,3-thiazol-5-imine?
The IUPAC name of 4-but-2-enylidene-N-methyl-1,3-thiazol-5-imine (CID 90764624) is 4-but-2-enylidene-N-methyl-1,3-thiazol-5-imine.
What is the SMILES notation for 4-but-2-enylidene-N-methyl-1,3-thiazol-5-imine?
The canonical SMILES for 4-but-2-enylidene-N-methyl-1,3-thiazol-5-imine is CC=CC=C1N=CS/C1=N\C.
What is the InChIKey of 4-but-2-enylidene-N-methyl-1,3-thiazol-5-imine?
The InChIKey is OWPFXAXHJARDQF-BUZPJLGZSA-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 4-but-2-enylidene-N-methyl-1,3-thiazol-5-imine?
4-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 4-but-2-enylidene-N-methyl-1,3-thiazol-5-imine is sourced from PubChem (CID 90764624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).