3-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(4-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine

C24H27N3O3S — CID 23967743

IUPAC3-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(4-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(-c2ccc(OC)cc2)n1N=C(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H27N3O3S/c1-16(2)14-25-24-27(21(15-31-24)18-7-10-20(28-4)11-8-18)26-17(3)19-9-12-22(29-5)23(13-19)30-6/h7-13,15H,1,14H2,2-6H3/b25-24-,26-17?
InChIKeyVAAHUQAOEXEEKD-ZVISHISFSA-N
MW437.57 g/mol
LogP4.99
Rot. Bonds8

About 3-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(4-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine

3-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(4-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine (PubChem CID 23967743) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 3-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(4-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(4-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
PubChem CID23967743
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name3-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(4-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(-c2ccc(OC)cc2)n1N=C(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H27N3O3S/c1-16(2)14-25-24-27(21(15-31-24)18-7-10-20(28-4)11-8-18)26-17(3)19-9-12-22(29-5)23(13-19)30-6/h7-13,15H,1,14H2,2-6H3/b25-24-,26-17?
InChIKeyVAAHUQAOEXEEKD-ZVISHISFSA-N
XLogP4.99
TPSA57.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 23905208
4-(2,5-dimethoxyphenyl)-N-(2-methylprop-2-enyl)-3-(pentan-3-ylideneamino)-1,3-thiazol-2-imine
CID 23994084
3-(butan-2-ylideneamino)-4-(2,4-dimethoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 23881615
2-[C-methyl-N-[2-(2-methylprop-2-enylimino)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]carbonimidoyl]phenol
CID 135755983
2-ethoxy-4-[[4-(4-methoxyphenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135666205
3-[1-(4-methylphenyl)ethylideneamino]-N-(2-methylprop-2-enyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine
CID 23767388
N-(2-methylprop-2-enyl)-3-(pentan-3-ylideneamino)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23941442
3-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(4-methylphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 3297229
2-methoxy-5-[[4-(4-methylphenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]iminomethyl]phenol
CID 23964685
4-(2,5-dimethoxyphenyl)-N-(2-methylprop-2-enyl)-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23935360
3-[1-(furan-2-yl)ethylideneamino]-4-(2-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 23821389
6-[3-[1-(4-methoxyphenyl)propan-2-ylideneamino]-2-(2-methylprop-2-enylimino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23934414

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(4-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(4-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine (CID 23967743) is 3-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(4-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(4-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(4-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine is C=C(C)C/N=c1\scc(-c2ccc(OC)cc2)n1N=C(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(4-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine?
The InChIKey is VAAHUQAOEXEEKD-ZVISHISFSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-16(2)14-25-24-27(21(15-31-24)18-7-10-20(28-4)11-8-18)26-17(3)19-9-12-22(29-5)23(13-19)30-6/h7-13,15H,1,14H2,2-6H3/b25-24-,26-17?.
What are the key properties of 3-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(4-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine?
3-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(4-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine has a molecular weight of 437.57 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(4-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23967743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).