2-[[4-(1-benzofuran-2-yl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-5-(diethylamino)phenol

C23H24N4O2S — CID 135709567

IUPAC2-[[4-(1-benzofuran-2-yl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-5-(diethylamino)phenol
SMILESCCN(CC)c1ccc(C=Nn2c(-c3cc4ccccc4o3)cs/c2=N\C)c(O)c1
InChIInChI=1S/C23H24N4O2S/c1-4-26(5-2)18-11-10-17(20(28)13-18)14-25-27-19(15-30-23(27)24-3)22-12-16-8-6-7-9-21(16)29-22/h6-15,28H,4-5H2,1-3H3/b24-23-,25-14?
InChIKeyCFYSLVLUCITRGN-PIBHVZDMSA-N
MW420.54 g/mol
LogP4.93
Rot. Bonds6

About 2-[[4-(1-benzofuran-2-yl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-5-(diethylamino)phenol

2-[[4-(1-benzofuran-2-yl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-5-(diethylamino)phenol (PubChem CID 135709567) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 2-[[4-(1-benzofuran-2-yl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-5-(diethylamino)phenol.

Molecular Properties

Compound Name2-[[4-(1-benzofuran-2-yl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-5-(diethylamino)phenol
PubChem CID135709567
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name2-[[4-(1-benzofuran-2-yl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-5-(diethylamino)phenol
SMILESCCN(CC)c1ccc(C=Nn2c(-c3cc4ccccc4o3)cs/c2=N\C)c(O)c1
InChIInChI=1S/C23H24N4O2S/c1-4-26(5-2)18-11-10-17(20(28)13-18)14-25-27-19(15-30-23(27)24-3)22-12-16-8-6-7-9-21(16)29-22/h6-15,28H,4-5H2,1-3H3/b24-23-,25-14?
InChIKeyCFYSLVLUCITRGN-PIBHVZDMSA-N
XLogP4.93
TPSA66.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.93
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'}

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Related Compounds

2-[[4-(1-benzofuran-2-yl)-2-phenylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135709426
4-[[4-(1-benzofuran-2-yl)-2-phenylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2,3-triol
CID 135772424
2-[[4-(1-benzofuran-2-yl)-2-ethylimino-1,3-thiazol-3-yl]iminomethyl]-4-methoxyphenol
CID 135814437
2-[[4-(1-benzofuran-2-yl)-2-(2,4-difluorophenyl)imino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135554074
4-[[4-(1-benzofuran-2-yl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135548999
2-[[4-(1-benzofuran-2-yl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol
CID 135799781
4-[[4-(1-benzofuran-2-yl)-2-(2-nitrophenyl)imino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2,3-triol
CID 135548830
4-(1-benzofuran-2-yl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23939933
3-[[4-(1-benzofuran-2-yl)-2-(2,5-dimethylphenyl)imino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135618853
4-(1-benzofuran-2-yl)-3-(benzylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23878562
5-(diethylamino)-2-[[4-(3,4-dimethylphenyl)-2-pyridin-3-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135838942
4-(1-benzofuran-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 135843302

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-benzofuran-2-yl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-5-(diethylamino)phenol?
The IUPAC name of 2-[[4-(1-benzofuran-2-yl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-5-(diethylamino)phenol (CID 135709567) is 2-[[4-(1-benzofuran-2-yl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-5-(diethylamino)phenol.
What is the SMILES notation for 2-[[4-(1-benzofuran-2-yl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-5-(diethylamino)phenol?
The canonical SMILES for 2-[[4-(1-benzofuran-2-yl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-5-(diethylamino)phenol is CCN(CC)c1ccc(C=Nn2c(-c3cc4ccccc4o3)cs/c2=N\C)c(O)c1.
What is the InChIKey of 2-[[4-(1-benzofuran-2-yl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-5-(diethylamino)phenol?
The InChIKey is CFYSLVLUCITRGN-PIBHVZDMSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-4-26(5-2)18-11-10-17(20(28)13-18)14-25-27-19(15-30-23(27)24-3)22-12-16-8-6-7-9-21(16)29-22/h6-15,28H,4-5H2,1-3H3/b24-23-,25-14?.
What are the key properties of 2-[[4-(1-benzofuran-2-yl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-5-(diethylamino)phenol?
2-[[4-(1-benzofuran-2-yl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-5-(diethylamino)phenol has a molecular weight of 420.54 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-benzofuran-2-yl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-5-(diethylamino)phenol is sourced from PubChem (CID 135709567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).