N-(2,6-diethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine

C20H24N2O2S — CID 23790036

IUPACN-(2,6-diethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine
SMILESCCc1cccc(CC)c1/N=c1\scc(-c2ccco2)n1CCOC
InChIInChI=1S/C20H24N2O2S/c1-4-15-8-6-9-16(5-2)19(15)21-20-22(11-13-23-3)17(14-25-20)18-10-7-12-24-18/h6-10,12,14H,4-5,11,13H2,1-3H3/b21-20-
InChIKeyVPHVCIBOKMVNIZ-MRCUWXFGSA-N
MW356.49 g/mol
LogP4.81
Rot. Bonds7

About N-(2,6-diethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine

N-(2,6-diethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine (PubChem CID 23790036) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine
PubChem CID23790036
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-(2,6-diethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine
SMILESCCc1cccc(CC)c1/N=c1\scc(-c2ccco2)n1CCOC
InChIInChI=1S/C20H24N2O2S/c1-4-15-8-6-9-16(5-2)19(15)21-20-22(11-13-23-3)17(14-25-20)18-10-7-12-24-18/h6-10,12,14H,4-5,11,13H2,1-3H3/b21-20-
InChIKeyVPHVCIBOKMVNIZ-MRCUWXFGSA-N
XLogP4.81
TPSA39.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine
CID 23799456
3-butyl-N-(3,4-dimethylphenyl)-4-(furan-2-yl)-1,3-thiazol-2-imine
CID 23829109
N-(3,4-dichlorophenyl)-3-(2-methoxyethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23911708
3-butyl-4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 23961566
3-(2-methoxyethyl)-4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 8715499
3-(1,3-benzodioxol-5-ylmethyl)-N-(3-chlorophenyl)-4-(furan-2-yl)-1,3-thiazol-2-imine
CID 23992842
4-(furan-2-yl)-N-(4-methoxyphenyl)-3-(3-methylbutylideneamino)-1,3-thiazol-2-imine
CID 23794866
3-butyl-N-(3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23735643
3-cyclopropyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 23988975
N-[3-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-ylidene]amino]phenyl]acetamide
CID 42950298
3-cyclopentyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 23906653
4-(furan-2-yl)-3-(furan-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 23912501

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine?
The IUPAC name of N-(2,6-diethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine (CID 23790036) is N-(2,6-diethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-(2,6-diethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-(2,6-diethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine is CCc1cccc(CC)c1/N=c1\scc(-c2ccco2)n1CCOC.
What is the InChIKey of N-(2,6-diethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine?
The InChIKey is VPHVCIBOKMVNIZ-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-4-15-8-6-9-16(5-2)19(15)21-20-22(11-13-23-3)17(14-25-20)18-10-7-12-24-18/h6-10,12,14H,4-5,11,13H2,1-3H3/b21-20-.
What are the key properties of N-(2,6-diethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine?
N-(2,6-diethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine has a molecular weight of 356.49 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23790036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).