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

C19H20N2S — CID 18813132

IUPAC3-ethyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCCn1c(-c2ccc(C)cc2)cs/c1=N\c1ccc(C)cc1
InChIInChI=1S/C19H20N2S/c1-4-21-18(16-9-5-14(2)6-10-16)13-22-19(21)20-17-11-7-15(3)8-12-17/h5-13H,4H2,1-3H3/b20-19-
InChIKeyQCDCMOLJFHPLHW-VXPUYCOJSA-N
MW308.45 g/mol
LogP5.09
Rot. Bonds3

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

3-ethyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine (PubChem CID 18813132) has the molecular formula C19H20N2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-ethyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-ethyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
PubChem CID18813132
Molecular FormulaC19H20N2S
Molecular Weight308.45 g/mol
Exact Mass308.13
IUPAC Name3-ethyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCCn1c(-c2ccc(C)cc2)cs/c1=N\c1ccc(C)cc1
InChIInChI=1S/C19H20N2S/c1-4-21-18(16-9-5-14(2)6-10-16)13-22-19(21)20-17-11-7-15(3)8-12-17/h5-13H,4H2,1-3H3/b20-19-
InChIKeyQCDCMOLJFHPLHW-VXPUYCOJSA-N
XLogP5.09
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.45
LogP ≤ 55.09
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-ethyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-ethyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine (CID 18813132) is 3-ethyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-ethyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-ethyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine is CCn1c(-c2ccc(C)cc2)cs/c1=N\c1ccc(C)cc1.
What is the InChIKey of 3-ethyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine?
The InChIKey is QCDCMOLJFHPLHW-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2S/c1-4-21-18(16-9-5-14(2)6-10-16)13-22-19(21)20-17-11-7-15(3)8-12-17/h5-13H,4H2,1-3H3/b20-19-.
What are the key properties of 3-ethyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine?
3-ethyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine has a molecular weight of 308.45 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 18813132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).