N-ethenyl-1-(5-methyl-1,3-thiazol-4-yl)ethanimine

C8H10N2S — CID 144514945

IUPACN-ethenyl-1-(5-methyl-1,3-thiazol-4-yl)ethanimine
SMILESC=C/N=C(\C)c1ncsc1C
InChIInChI=1S/C8H10N2S/c1-4-9-6(2)8-7(3)11-5-10-8/h4-5H,1H2,2-3H3/b9-6+
InChIKeyHSVSQNTWJIXJJO-RMKNXTFCSA-N
MW166.25 g/mol
LogP2.40
Rot. Bonds2

About N-ethenyl-1-(5-methyl-1,3-thiazol-4-yl)ethanimine

N-ethenyl-1-(5-methyl-1,3-thiazol-4-yl)ethanimine (PubChem CID 144514945) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is N-ethenyl-1-(5-methyl-1,3-thiazol-4-yl)ethanimine.

Molecular Properties

Compound NameN-ethenyl-1-(5-methyl-1,3-thiazol-4-yl)ethanimine
PubChem CID144514945
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC NameN-ethenyl-1-(5-methyl-1,3-thiazol-4-yl)ethanimine
SMILESC=C/N=C(\C)c1ncsc1C
InChIInChI=1S/C8H10N2S/c1-4-9-6(2)8-7(3)11-5-10-8/h4-5H,1H2,2-3H3/b9-6+
InChIKeyHSVSQNTWJIXJJO-RMKNXTFCSA-N
XLogP2.40
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 52.40
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 N-ethenyl-1-(5-methyl-1,3-thiazol-4-yl)ethanimine?
The IUPAC name of N-ethenyl-1-(5-methyl-1,3-thiazol-4-yl)ethanimine (CID 144514945) is N-ethenyl-1-(5-methyl-1,3-thiazol-4-yl)ethanimine.
What is the SMILES notation for N-ethenyl-1-(5-methyl-1,3-thiazol-4-yl)ethanimine?
The canonical SMILES for N-ethenyl-1-(5-methyl-1,3-thiazol-4-yl)ethanimine is C=C/N=C(\C)c1ncsc1C.
What is the InChIKey of N-ethenyl-1-(5-methyl-1,3-thiazol-4-yl)ethanimine?
The InChIKey is HSVSQNTWJIXJJO-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H10N2S/c1-4-9-6(2)8-7(3)11-5-10-8/h4-5H,1H2,2-3H3/b9-6+.
What are the key properties of N-ethenyl-1-(5-methyl-1,3-thiazol-4-yl)ethanimine?
N-ethenyl-1-(5-methyl-1,3-thiazol-4-yl)ethanimine has a molecular weight of 166.25 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-(5-methyl-1,3-thiazol-4-yl)ethanimine is sourced from PubChem (CID 144514945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).