3,4-bis(4-methylphenyl)-1,3-thiazol-2-imine

C17H16N2S — CID 4658310

IUPAC3,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
SMILES[H]/N=c1\scc(-c2ccc(C)cc2)n1-c1ccc(C)cc1
InChIInChI=1S/C17H16N2S/c1-12-3-7-14(8-4-12)16-11-20-17(18)19(16)15-9-5-13(2)6-10-15/h3-11,18H,1-2H3/b18-17-
InChIKeyZCKMFZRDXXQZAD-ZCXUNETKSA-N
MW280.40 g/mol
LogP4.30
Rot. Bonds2

About 3,4-bis(4-methylphenyl)-1,3-thiazol-2-imine

3,4-bis(4-methylphenyl)-1,3-thiazol-2-imine (PubChem CID 4658310) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 3,4-bis(4-methylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
PubChem CID4658310
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name3,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
SMILES[H]/N=c1\scc(-c2ccc(C)cc2)n1-c1ccc(C)cc1
InChIInChI=1S/C17H16N2S/c1-12-3-7-14(8-4-12)16-11-20-17(18)19(16)15-9-5-13(2)6-10-15/h3-11,18H,1-2H3/b18-17-
InChIKeyZCKMFZRDXXQZAD-ZCXUNETKSA-N
XLogP4.30
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
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-bis(4-methylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3,4-bis(4-methylphenyl)-1,3-thiazol-2-imine (CID 4658310) is 3,4-bis(4-methylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3,4-bis(4-methylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3,4-bis(4-methylphenyl)-1,3-thiazol-2-imine is [H]/N=c1\scc(-c2ccc(C)cc2)n1-c1ccc(C)cc1.
What is the InChIKey of 3,4-bis(4-methylphenyl)-1,3-thiazol-2-imine?
The InChIKey is ZCKMFZRDXXQZAD-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H16N2S/c1-12-3-7-14(8-4-12)16-11-20-17(18)19(16)15-9-5-13(2)6-10-15/h3-11,18H,1-2H3/b18-17-.
What are the key properties of 3,4-bis(4-methylphenyl)-1,3-thiazol-2-imine?
3,4-bis(4-methylphenyl)-1,3-thiazol-2-imine has a molecular weight of 280.40 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-methylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 4658310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).