3-benzyl-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine

C20H22N2S — CID 4073980

IUPAC3-benzyl-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine
SMILESCc1cc(C)c(/N=c2\scc(C)n2Cc2ccccc2)c(C)c1
InChIInChI=1S/C20H22N2S/c1-14-10-15(2)19(16(3)11-14)21-20-22(17(4)13-23-20)12-18-8-6-5-7-9-18/h5-11,13H,12H2,1-4H3/b21-20-
InChIKeyFPRJUGJBDQHPIK-MRCUWXFGSA-N
MW322.48 g/mol
LogP5.06
Rot. Bonds3

About 3-benzyl-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine

3-benzyl-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine (PubChem CID 4073980) has the molecular formula C20H22N2S and a molecular weight of 322.48 g/mol. Its IUPAC name is 3-benzyl-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-benzyl-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine
PubChem CID4073980
Molecular FormulaC20H22N2S
Molecular Weight322.48 g/mol
Exact Mass322.15
IUPAC Name3-benzyl-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine
SMILESCc1cc(C)c(/N=c2\scc(C)n2Cc2ccccc2)c(C)c1
InChIInChI=1S/C20H22N2S/c1-14-10-15(2)19(16(3)11-14)21-20-22(17(4)13-23-20)12-18-8-6-5-7-9-18/h5-11,13H,12H2,1-4H3/b21-20-
InChIKeyFPRJUGJBDQHPIK-MRCUWXFGSA-N
XLogP5.06
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.48
LogP ≤ 55.06
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-benzyl-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-benzyl-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine (CID 4073980) is 3-benzyl-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-benzyl-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-benzyl-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine is Cc1cc(C)c(/N=c2\scc(C)n2Cc2ccccc2)c(C)c1.
What is the InChIKey of 3-benzyl-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine?
The InChIKey is FPRJUGJBDQHPIK-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H22N2S/c1-14-10-15(2)19(16(3)11-14)21-20-22(17(4)13-23-20)12-18-8-6-5-7-9-18/h5-11,13H,12H2,1-4H3/b21-20-.
What are the key properties of 3-benzyl-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine?
3-benzyl-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine has a molecular weight of 322.48 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 4073980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).