2-[N-[4-(2,5-dimethoxyphenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol

C23H25N3O3S — CID 135849922

IUPAC2-[N-[4-(2,5-dimethoxyphenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol
SMILESC=C(C)C/N=c1\scc(-c2cc(OC)ccc2OC)n1N=C(C)c1ccccc1O
InChIInChI=1S/C23H25N3O3S/c1-15(2)13-24-23-26(25-16(3)18-8-6-7-9-21(18)27)20(14-30-23)19-12-17(28-4)10-11-22(19)29-5/h6-12,14,27H,1,13H2,2-5H3/b24-23-,25-16?
InChIKeyGQVQWKLUBQGVCC-CTQCDUDSSA-N
MW423.54 g/mol
LogP4.69
Rot. Bonds7

About 2-[N-[4-(2,5-dimethoxyphenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol

2-[N-[4-(2,5-dimethoxyphenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol (PubChem CID 135849922) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-[N-[4-(2,5-dimethoxyphenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-[N-[4-(2,5-dimethoxyphenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol
PubChem CID135849922
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name2-[N-[4-(2,5-dimethoxyphenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol
SMILESC=C(C)C/N=c1\scc(-c2cc(OC)ccc2OC)n1N=C(C)c1ccccc1O
InChIInChI=1S/C23H25N3O3S/c1-15(2)13-24-23-26(25-16(3)18-8-6-7-9-21(18)27)20(14-30-23)19-12-17(28-4)10-11-22(19)29-5/h6-12,14,27H,1,13H2,2-5H3/b24-23-,25-16?
InChIKeyGQVQWKLUBQGVCC-CTQCDUDSSA-N
XLogP4.69
TPSA68.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[N-[4-(2,5-dimethoxyphenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[C-methyl-N-[2-(2-methylprop-2-enylimino)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]carbonimidoyl]phenol
CID 135755983
4-(2,5-dimethoxyphenyl)-N-(2-methylprop-2-enyl)-3-(pentan-3-ylideneamino)-1,3-thiazol-2-imine
CID 23994084
4-(2,5-dimethoxyphenyl)-N-(2-methylprop-2-enyl)-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23935360
3-(butan-2-ylideneamino)-4-(2,4-dimethoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 23881615
2-[N-[4-(2,5-dimethoxyphenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]naphthalen-1-ol
CID 135778684
3-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(4-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 23967743
3-[1-(furan-2-yl)ethylideneamino]-4-(2-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 23821389
(Z)-4-(2,5-dimethoxyphenyl)-N-ethyl-3-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine
CID 6283588
4-(2,5-dimethoxyphenyl)-3-[1-(2,5-dimethoxyphenyl)ethylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23936246
5-methoxy-2-[C-methyl-N-(2-methylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)carbonimidoyl]phenol
CID 135713319
4-(2,4-dimethoxyphenyl)-3-[1-(2,5-dimethoxyphenyl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 23732067
4-(2-methoxyphenyl)-N-(2-methylprop-2-enyl)-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23739770

Frequently Asked Questions

What is the IUPAC name of 2-[N-[4-(2,5-dimethoxyphenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol?
The IUPAC name of 2-[N-[4-(2,5-dimethoxyphenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol (CID 135849922) is 2-[N-[4-(2,5-dimethoxyphenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 2-[N-[4-(2,5-dimethoxyphenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 2-[N-[4-(2,5-dimethoxyphenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol is C=C(C)C/N=c1\scc(-c2cc(OC)ccc2OC)n1N=C(C)c1ccccc1O.
What is the InChIKey of 2-[N-[4-(2,5-dimethoxyphenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol?
The InChIKey is GQVQWKLUBQGVCC-CTQCDUDSSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-15(2)13-24-23-26(25-16(3)18-8-6-7-9-21(18)27)20(14-30-23)19-12-17(28-4)10-11-22(19)29-5/h6-12,14,27H,1,13H2,2-5H3/b24-23-,25-16?.
What are the key properties of 2-[N-[4-(2,5-dimethoxyphenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol?
2-[N-[4-(2,5-dimethoxyphenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol has a molecular weight of 423.54 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[4-(2,5-dimethoxyphenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 135849922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).