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

C7H8N2S — CID 139417005

IUPAC(4E)-N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine
SMILESC=C/C=C1/N=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-AQXDOAQYSA-N
MW152.22 g/mol
LogP1.86
Rot. Bonds1

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

(4E)-N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine (PubChem CID 139417005) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is (4E)-N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine.

Molecular Properties

Compound Name(4E)-N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine
PubChem CID139417005
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name(4E)-N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine
SMILESC=C/C=C1/N=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-AQXDOAQYSA-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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Frequently Asked Questions

What is the IUPAC name of (4E)-N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine?
The IUPAC name of (4E)-N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine (CID 139417005) is (4E)-N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine.
What is the SMILES notation for (4E)-N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine?
The canonical SMILES for (4E)-N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine is C=C/C=C1/N=CS/C1=N\C.
What is the InChIKey of (4E)-N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine?
The InChIKey is XBQCGDROVWUSGJ-AQXDOAQYSA-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 (4E)-N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine?
(4E)-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 (4E)-N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine is sourced from PubChem (CID 139417005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).