N-(4-ethoxyphenyl)-3-methyl-4-naphthalen-2-yl-1,3-thiazol-2-imine

C22H20N2OS — CID 4990140

IUPACN-(4-ethoxyphenyl)-3-methyl-4-naphthalen-2-yl-1,3-thiazol-2-imine
SMILESCCOc1ccc(/N=c2\scc(-c3ccc4ccccc4c3)n2C)cc1
InChIInChI=1S/C22H20N2OS/c1-3-25-20-12-10-19(11-13-20)23-22-24(2)21(15-26-22)18-9-8-16-6-4-5-7-17(16)14-18/h4-15H,3H2,1-2H3/b23-22-
InChIKeyJDHROVATQBFXMO-FCQUAONHSA-N
MW360.48 g/mol
LogP5.54
Rot. Bonds4

About N-(4-ethoxyphenyl)-3-methyl-4-naphthalen-2-yl-1,3-thiazol-2-imine

N-(4-ethoxyphenyl)-3-methyl-4-naphthalen-2-yl-1,3-thiazol-2-imine (PubChem CID 4990140) has the molecular formula C22H20N2OS and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-methyl-4-naphthalen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-methyl-4-naphthalen-2-yl-1,3-thiazol-2-imine
PubChem CID4990140
Molecular FormulaC22H20N2OS
Molecular Weight360.48 g/mol
Exact Mass360.13
IUPAC NameN-(4-ethoxyphenyl)-3-methyl-4-naphthalen-2-yl-1,3-thiazol-2-imine
SMILESCCOc1ccc(/N=c2\scc(-c3ccc4ccccc4c3)n2C)cc1
InChIInChI=1S/C22H20N2OS/c1-3-25-20-12-10-19(11-13-20)23-22-24(2)21(15-26-22)18-9-8-16-6-4-5-7-17(16)14-18/h4-15H,3H2,1-2H3/b23-22-
InChIKeyJDHROVATQBFXMO-FCQUAONHSA-N
XLogP5.54
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.48
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)-3-ethyl-1,3-thiazol-2-imine
CID 1037728
2-[2-(4-ethoxyphenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
CID 138392628
3-tert-butyl-N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 18813030
N-(4-ethoxyphenyl)-3-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-imine
CID 18812902
4-(4-chlorophenyl)-N,3-bis(4-ethoxyphenyl)-1,3-thiazol-2-imine
CID 18812994
2-[4-(4-chlorophenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-3-yl]ethanol
CID 979063
2-[2-(4-chlorophenyl)imino-4-(4-ethoxyphenyl)-1,3-thiazol-3-yl]ethanol
CID 51370288
3-tert-butyl-4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-imine
CID 3744406
N,4-bis(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine
CID 142106070
4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 138392833
4-(4-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)-N-phenyl-1,3-thiazol-2-imine
CID 9179343
4-(4-cyclohexylphenyl)-N-(4-ethoxyphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138392853

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-methyl-4-naphthalen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of N-(4-ethoxyphenyl)-3-methyl-4-naphthalen-2-yl-1,3-thiazol-2-imine (CID 4990140) is N-(4-ethoxyphenyl)-3-methyl-4-naphthalen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-methyl-4-naphthalen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-ethoxyphenyl)-3-methyl-4-naphthalen-2-yl-1,3-thiazol-2-imine is CCOc1ccc(/N=c2\scc(-c3ccc4ccccc4c3)n2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-methyl-4-naphthalen-2-yl-1,3-thiazol-2-imine?
The InChIKey is JDHROVATQBFXMO-FCQUAONHSA-N. The full InChI is InChI=1S/C22H20N2OS/c1-3-25-20-12-10-19(11-13-20)23-22-24(2)21(15-26-22)18-9-8-16-6-4-5-7-17(16)14-18/h4-15H,3H2,1-2H3/b23-22-.
What are the key properties of N-(4-ethoxyphenyl)-3-methyl-4-naphthalen-2-yl-1,3-thiazol-2-imine?
N-(4-ethoxyphenyl)-3-methyl-4-naphthalen-2-yl-1,3-thiazol-2-imine has a molecular weight of 360.48 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-methyl-4-naphthalen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 4990140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).