N-(4-ethylphenyl)-4-methyl-3-(2-methylpropyl)-1,3-thiazol-2-imine

C16H22N2S — CID 56972580

IUPACN-(4-ethylphenyl)-4-methyl-3-(2-methylpropyl)-1,3-thiazol-2-imine
SMILESCCc1ccc(/N=c2\scc(C)n2CC(C)C)cc1
InChIInChI=1S/C16H22N2S/c1-5-14-6-8-15(9-7-14)17-16-18(10-12(2)3)13(4)11-19-16/h6-9,11-12H,5,10H2,1-4H3/b17-16-
InChIKeyLOMJCQDXIBXFKB-MSUUIHNZSA-N
MW274.43 g/mol
LogP4.31
Rot. Bonds4

About N-(4-ethylphenyl)-4-methyl-3-(2-methylpropyl)-1,3-thiazol-2-imine

N-(4-ethylphenyl)-4-methyl-3-(2-methylpropyl)-1,3-thiazol-2-imine (PubChem CID 56972580) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-methyl-3-(2-methylpropyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-methyl-3-(2-methylpropyl)-1,3-thiazol-2-imine
PubChem CID56972580
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-(4-ethylphenyl)-4-methyl-3-(2-methylpropyl)-1,3-thiazol-2-imine
SMILESCCc1ccc(/N=c2\scc(C)n2CC(C)C)cc1
InChIInChI=1S/C16H22N2S/c1-5-14-6-8-15(9-7-14)17-16-18(10-12(2)3)13(4)11-19-16/h6-9,11-12H,5,10H2,1-4H3/b17-16-
InChIKeyLOMJCQDXIBXFKB-MSUUIHNZSA-N
XLogP4.31
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 ≤ 54.31
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-(4-methylphenyl)-1,3-thiazol-2-imine
CID 56972571
4-methyl-3-(3-methylbutyl)-N-phenyl-1,3-thiazol-2-imine
CID 56972563
3-benzyl-4-methyl-N-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 45125354
ethyl 2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]acetate
CID 4993132
2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol
CID 4996936
4-methyl-3-(3-methylbutyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 23800397
3-ethyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
CID 18813132
N,N-diethyl-3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-amine
CID 23996772
4-methyl-3-pentan-2-yl-N-phenyl-1,3-thiazol-2-imine
CID 56972572
3,4-diethyl-N-(4-fluorophenyl)-1,3-thiazol-2-imine
CID 4079798
N-(4-ethylphenyl)-3-(5-methylhexan-2-yl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine
CID 23793482
N-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]acetamide
CID 23848032

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-methyl-3-(2-methylpropyl)-1,3-thiazol-2-imine?
The IUPAC name of N-(4-ethylphenyl)-4-methyl-3-(2-methylpropyl)-1,3-thiazol-2-imine (CID 56972580) is N-(4-ethylphenyl)-4-methyl-3-(2-methylpropyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-ethylphenyl)-4-methyl-3-(2-methylpropyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-ethylphenyl)-4-methyl-3-(2-methylpropyl)-1,3-thiazol-2-imine is CCc1ccc(/N=c2\scc(C)n2CC(C)C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-methyl-3-(2-methylpropyl)-1,3-thiazol-2-imine?
The InChIKey is LOMJCQDXIBXFKB-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H22N2S/c1-5-14-6-8-15(9-7-14)17-16-18(10-12(2)3)13(4)11-19-16/h6-9,11-12H,5,10H2,1-4H3/b17-16-.
What are the key properties of N-(4-ethylphenyl)-4-methyl-3-(2-methylpropyl)-1,3-thiazol-2-imine?
N-(4-ethylphenyl)-4-methyl-3-(2-methylpropyl)-1,3-thiazol-2-imine has a molecular weight of 274.43 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-methyl-3-(2-methylpropyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 56972580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).