3,4,5-trimethyl-N-(4-methylphenyl)-1,3-thiazol-2-imine

C13H16N2S — CID 823454

IUPAC3,4,5-trimethyl-N-(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCc1ccc(/N=c2/sc(C)c(C)n2C)cc1
InChIInChI=1S/C13H16N2S/c1-9-5-7-12(8-6-9)14-13-15(4)10(2)11(3)16-13/h5-8H,1-4H3/b14-13+
InChIKeyFYXSDUPMYFYPSU-BUHFOSPRSA-N
MW232.35 g/mol
LogP3.24
Rot. Bonds1

About 3,4,5-trimethyl-N-(4-methylphenyl)-1,3-thiazol-2-imine

3,4,5-trimethyl-N-(4-methylphenyl)-1,3-thiazol-2-imine (PubChem CID 823454) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 3,4,5-trimethyl-N-(4-methylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3,4,5-trimethyl-N-(4-methylphenyl)-1,3-thiazol-2-imine
PubChem CID823454
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name3,4,5-trimethyl-N-(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCc1ccc(/N=c2/sc(C)c(C)n2C)cc1
InChIInChI=1S/C13H16N2S/c1-9-5-7-12(8-6-9)14-13-15(4)10(2)11(3)16-13/h5-8H,1-4H3/b14-13+
InChIKeyFYXSDUPMYFYPSU-BUHFOSPRSA-N
XLogP3.24
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-N-(4-methylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3,4,5-trimethyl-N-(4-methylphenyl)-1,3-thiazol-2-imine (CID 823454) is 3,4,5-trimethyl-N-(4-methylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3,4,5-trimethyl-N-(4-methylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3,4,5-trimethyl-N-(4-methylphenyl)-1,3-thiazol-2-imine is Cc1ccc(/N=c2/sc(C)c(C)n2C)cc1.
What is the InChIKey of 3,4,5-trimethyl-N-(4-methylphenyl)-1,3-thiazol-2-imine?
The InChIKey is FYXSDUPMYFYPSU-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9-5-7-12(8-6-9)14-13-15(4)10(2)11(3)16-13/h5-8H,1-4H3/b14-13+.
What are the key properties of 3,4,5-trimethyl-N-(4-methylphenyl)-1,3-thiazol-2-imine?
3,4,5-trimethyl-N-(4-methylphenyl)-1,3-thiazol-2-imine has a molecular weight of 232.35 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-N-(4-methylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 823454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).