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

C7H8N2S — CID 91101949

IUPACN-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine
SMILESC=CC=C1N=CS/C1=N\C
InChIInChI=1S/C7H8N2S/c1-3-4-6-7(8-2)10-5-9-6/h3-5H,1H2,2H3/b6-4?,8-7-
InChIKeyXBQCGDROVWUSGJ-BSHKIBQKSA-N
MW152.22 g/mol
LogP1.86
Rot. Bonds1

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

N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine (PubChem CID 91101949) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine.

Molecular Properties

Compound NameN-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine
PubChem CID91101949
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC NameN-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine
SMILESC=CC=C1N=CS/C1=N\C
InChIInChI=1S/C7H8N2S/c1-3-4-6-7(8-2)10-5-9-6/h3-5H,1H2,2H3/b6-4?,8-7-
InChIKeyXBQCGDROVWUSGJ-BSHKIBQKSA-N
XLogP1.86
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.86
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

4-but-2-enylidene-N-methyl-1,3-thiazol-5-imine
CID 90764624
4,5-Di(ethylidene)-1,3-thiazole
CID 90767189
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)-4,5-di(ethylidene)-1,3-thiazole
CID 130239694
(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
5-Ethenyl-1-imino-4-methyl-1,3-thiazole
CID 142634974
ethane;(5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole
CID 142875396

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine?
The IUPAC name of N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine (CID 91101949) is N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine.
What is the SMILES notation for N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine?
The canonical SMILES for N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine is C=CC=C1N=CS/C1=N\C.
What is the InChIKey of N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine?
The InChIKey is XBQCGDROVWUSGJ-BSHKIBQKSA-N. The full InChI is InChI=1S/C7H8N2S/c1-3-4-6-7(8-2)10-5-9-6/h3-5H,1H2,2H3/b6-4?,8-7-.
What are the key properties of N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine?
N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine has a molecular weight of 152.22 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine is sourced from PubChem (CID 91101949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).