2-[[2-cyclohexylimino-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]phenol

C25H29N3O4S — CID 135840434

IUPAC2-[[2-cyclohexylimino-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]phenol
SMILESCOc1cc(-c2cs/c(=N\C3CCCCC3)n2N=Cc2ccccc2O)cc(OC)c1OC
InChIInChI=1S/C25H29N3O4S/c1-30-22-13-18(14-23(31-2)24(22)32-3)20-16-33-25(27-19-10-5-4-6-11-19)28(20)26-15-17-9-7-8-12-21(17)29/h7-9,12-16,19,29H,4-6,10-11H2,1-3H3/b26-15?,27-25-
InChIKeyGXKHHRHITHQXRO-IQWDEYKRSA-N
MW467.59 g/mol
LogP5.06
Rot. Bonds7

About 2-[[2-cyclohexylimino-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]phenol

2-[[2-cyclohexylimino-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]phenol (PubChem CID 135840434) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is 2-[[2-cyclohexylimino-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[2-cyclohexylimino-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]phenol
PubChem CID135840434
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC Name2-[[2-cyclohexylimino-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]phenol
SMILESCOc1cc(-c2cs/c(=N\C3CCCCC3)n2N=Cc2ccccc2O)cc(OC)c1OC
InChIInChI=1S/C25H29N3O4S/c1-30-22-13-18(14-23(31-2)24(22)32-3)20-16-33-25(27-19-10-5-4-6-11-19)28(20)26-15-17-9-7-8-12-21(17)29/h7-9,12-16,19,29H,4-6,10-11H2,1-3H3/b26-15?,27-25-
InChIKeyGXKHHRHITHQXRO-IQWDEYKRSA-N
XLogP5.06
TPSA77.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.59
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[[2-cyclohexylimino-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]phenol with MolForge

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Related Compounds

4-[2-cyclopropylimino-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]benzene-1,3-diol
CID 46698925
3-[(2-iodophenyl)methylideneamino]-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23878396
4-methoxy-2-[[2-prop-2-enylimino-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135832347
N-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23732679
4-[[2-cyclohexylimino-4-(4-methylphenyl)-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135582260
2-bromo-4-[(2-cyclohexylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]-6-methoxyphenol
CID 135666214
3-[(4-tert-butyl-2-cyclohexylimino-1,3-thiazol-3-yl)iminomethyl]benzene-1,2-diol
CID 137099001
6-[2-cyclohexylimino-3-[(2,4-dihydroxyphenyl)methylideneamino]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 135814651
N-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23878887
4-[[2-cyclohexylimino-4-(2,5-dimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]-2-ethoxyphenol
CID 135822869
3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 135778600
2-methoxy-4-[[2-(2-methylprop-2-enylimino)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135759290

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclohexylimino-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]phenol?
The IUPAC name of 2-[[2-cyclohexylimino-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]phenol (CID 135840434) is 2-[[2-cyclohexylimino-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]phenol.
What is the SMILES notation for 2-[[2-cyclohexylimino-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]phenol?
The canonical SMILES for 2-[[2-cyclohexylimino-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]phenol is COc1cc(-c2cs/c(=N\C3CCCCC3)n2N=Cc2ccccc2O)cc(OC)c1OC.
What is the InChIKey of 2-[[2-cyclohexylimino-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]phenol?
The InChIKey is GXKHHRHITHQXRO-IQWDEYKRSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-30-22-13-18(14-23(31-2)24(22)32-3)20-16-33-25(27-19-10-5-4-6-11-19)28(20)26-15-17-9-7-8-12-21(17)29/h7-9,12-16,19,29H,4-6,10-11H2,1-3H3/b26-15?,27-25-.
What are the key properties of 2-[[2-cyclohexylimino-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]phenol?
2-[[2-cyclohexylimino-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]phenol has a molecular weight of 467.59 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyclohexylimino-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]phenol is sourced from PubChem (CID 135840434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).