4-methyl-3-(3-methylbutyl)-N-(4-methylphenyl)-1,3-thiazol-2-imine

C16H22N2S — CID 56972571

IUPAC4-methyl-3-(3-methylbutyl)-N-(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCc1ccc(/N=c2\scc(C)n2CCC(C)C)cc1
InChIInChI=1S/C16H22N2S/c1-12(2)9-10-18-14(4)11-19-16(18)17-15-7-5-13(3)6-8-15/h5-8,11-12H,9-10H2,1-4H3/b17-16-
InChIKeyXWGZRYRLZBPKDG-MSUUIHNZSA-N
MW274.43 g/mol
LogP4.44
Rot. Bonds4

About 4-methyl-3-(3-methylbutyl)-N-(4-methylphenyl)-1,3-thiazol-2-imine

4-methyl-3-(3-methylbutyl)-N-(4-methylphenyl)-1,3-thiazol-2-imine (PubChem CID 56972571) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 4-methyl-3-(3-methylbutyl)-N-(4-methylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-methyl-3-(3-methylbutyl)-N-(4-methylphenyl)-1,3-thiazol-2-imine
PubChem CID56972571
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name4-methyl-3-(3-methylbutyl)-N-(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCc1ccc(/N=c2\scc(C)n2CCC(C)C)cc1
InChIInChI=1S/C16H22N2S/c1-12(2)9-10-18-14(4)11-19-16(18)17-15-7-5-13(3)6-8-15/h5-8,11-12H,9-10H2,1-4H3/b17-16-
InChIKeyXWGZRYRLZBPKDG-MSUUIHNZSA-N
XLogP4.44
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.44
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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Related Compounds

4-methyl-3-(3-methylbutyl)-N-phenyl-1,3-thiazol-2-imine
CID 56972563
4-methyl-3-(3-methylbutyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 23800397
N-(4-ethylphenyl)-4-methyl-3-(2-methylpropyl)-1,3-thiazol-2-imine
CID 56972580
3-ethyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
CID 18813132
4-methyl-N-(4-propan-2-ylphenyl)-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine
CID 23996371
N,N-diethyl-3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-amine
CID 23996772
2-[2-(4-fluorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
CID 695761
N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine
CID 18813249
3-cyclohexyl-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-imine
CID 23937531
N-(3,5-dimethylphenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine
CID 56972603
4-methyl-3-pentyl-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 56972596
3-hexyl-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 18813168

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-methylbutyl)-N-(4-methylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-methyl-3-(3-methylbutyl)-N-(4-methylphenyl)-1,3-thiazol-2-imine (CID 56972571) is 4-methyl-3-(3-methylbutyl)-N-(4-methylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-methyl-3-(3-methylbutyl)-N-(4-methylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-methyl-3-(3-methylbutyl)-N-(4-methylphenyl)-1,3-thiazol-2-imine is Cc1ccc(/N=c2\scc(C)n2CCC(C)C)cc1.
What is the InChIKey of 4-methyl-3-(3-methylbutyl)-N-(4-methylphenyl)-1,3-thiazol-2-imine?
The InChIKey is XWGZRYRLZBPKDG-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H22N2S/c1-12(2)9-10-18-14(4)11-19-16(18)17-15-7-5-13(3)6-8-15/h5-8,11-12H,9-10H2,1-4H3/b17-16-.
What are the key properties of 4-methyl-3-(3-methylbutyl)-N-(4-methylphenyl)-1,3-thiazol-2-imine?
4-methyl-3-(3-methylbutyl)-N-(4-methylphenyl)-1,3-thiazol-2-imine has a molecular weight of 274.43 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-methylbutyl)-N-(4-methylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 56972571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).