N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethenyl]methanimine

C8H10N2S — CID 59502557

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethenyl]methanimine
SMILESC=NC(=C)c1nc(C)sc1C
InChIInChI=1S/C8H10N2S/c1-5(9-4)8-6(2)11-7(3)10-8/h1,4H2,2-3H3
InChIKeyQBKLLOOHQYJBCZ-UHFFFAOYSA-N
MW166.25 g/mol
LogP2.43
Rot. Bonds2

About N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethenyl]methanimine

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethenyl]methanimine (PubChem CID 59502557) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethenyl]methanimine.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethenyl]methanimine
PubChem CID59502557
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethenyl]methanimine
SMILESC=NC(=C)c1nc(C)sc1C
InChIInChI=1S/C8H10N2S/c1-5(9-4)8-6(2)11-7(3)10-8/h1,4H2,2-3H3
InChIKeyQBKLLOOHQYJBCZ-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
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-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethenyl]methanimine?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethenyl]methanimine (CID 59502557) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethenyl]methanimine.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethenyl]methanimine?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethenyl]methanimine is C=NC(=C)c1nc(C)sc1C.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethenyl]methanimine?
The InChIKey is QBKLLOOHQYJBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-5(9-4)8-6(2)11-7(3)10-8/h1,4H2,2-3H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethenyl]methanimine?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethenyl]methanimine has a molecular weight of 166.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethenyl]methanimine is sourced from PubChem (CID 59502557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).