2-ethoxy-4-[(2-ethylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]phenol

C15H19N3O2S — CID 135618841

IUPAC2-ethoxy-4-[(2-ethylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]phenol
SMILESCC/N=c1\scc(C)n1N=Cc1ccc(O)c(OCC)c1
InChIInChI=1S/C15H19N3O2S/c1-4-16-15-18(11(3)10-21-15)17-9-12-6-7-13(19)14(8-12)20-5-2/h6-10,19H,4-5H2,1-3H3/b16-15-,17-9?
InChIKeyXCGOMDUILVWUIK-JWTJGMJASA-N
MW305.40 g/mol
LogP2.77
Rot. Bonds5

About 2-ethoxy-4-[(2-ethylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]phenol

2-ethoxy-4-[(2-ethylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]phenol (PubChem CID 135618841) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-ethoxy-4-[(2-ethylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[(2-ethylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]phenol
PubChem CID135618841
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-ethoxy-4-[(2-ethylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]phenol
SMILESCC/N=c1\scc(C)n1N=Cc1ccc(O)c(OCC)c1
InChIInChI=1S/C15H19N3O2S/c1-4-16-15-18(11(3)10-21-15)17-9-12-6-7-13(19)14(8-12)20-5-2/h6-10,19H,4-5H2,1-3H3/b16-15-,17-9?
InChIKeyXCGOMDUILVWUIK-JWTJGMJASA-N
XLogP2.77
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-4-[[4-(4-methoxyphenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135666205
2-ethoxy-4-[[2-(2-methylprop-2-enylimino)-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135676743
4-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1,2,4-triazolidine-3,5-dithione
CID 135739802
(E)-3-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-ethyl-4-methyl-1,3-thiazol-2-imine
CID 6904272
4-[[4-methyl-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135739887
2-ethoxy-4-[(Z)-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 136911199
4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]-2-ethoxyphenol
CID 135614073
(E)-3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-ethyl-4-methyl-1,3-thiazol-2-imine;hydrochloride
CID 45356300
4-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione
CID 135494794
2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol
CID 135832909
4-[(E)-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylimino-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol
CID 135849485
2,4-dibromo-6-[(2-ethylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]phenol
CID 135759330

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(2-ethylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]phenol?
The IUPAC name of 2-ethoxy-4-[(2-ethylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]phenol (CID 135618841) is 2-ethoxy-4-[(2-ethylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[(2-ethylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]phenol?
The canonical SMILES for 2-ethoxy-4-[(2-ethylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]phenol is CC/N=c1\scc(C)n1N=Cc1ccc(O)c(OCC)c1.
What is the InChIKey of 2-ethoxy-4-[(2-ethylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]phenol?
The InChIKey is XCGOMDUILVWUIK-JWTJGMJASA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-4-16-15-18(11(3)10-21-15)17-9-12-6-7-13(19)14(8-12)20-5-2/h6-10,19H,4-5H2,1-3H3/b16-15-,17-9?.
What are the key properties of 2-ethoxy-4-[(2-ethylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]phenol?
2-ethoxy-4-[(2-ethylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]phenol has a molecular weight of 305.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(2-ethylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]phenol is sourced from PubChem (CID 135618841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).