2-[(E)-(2-ethylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]-4-methoxyphenol

C17H17N3O2S2 — CID 135401267

IUPAC2-[(E)-(2-ethylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]-4-methoxyphenol
SMILESCC/N=c1\scc(-c2cccs2)n1/N=C/c1cc(OC)ccc1O
InChIInChI=1S/C17H17N3O2S2/c1-3-18-17-20(14(11-24-17)16-5-4-8-23-16)19-10-12-9-13(22-2)6-7-15(12)21/h4-11,21H,3H2,1-2H3/b18-17-,19-10+
InChIKeyOWOYGCFFKYXLAG-PRUPWKLTSA-N
MW359.48 g/mol
LogP3.80
Rot. Bonds5

About 2-[(E)-(2-ethylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]-4-methoxyphenol

2-[(E)-(2-ethylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]-4-methoxyphenol (PubChem CID 135401267) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 2-[(E)-(2-ethylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(E)-(2-ethylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]-4-methoxyphenol
PubChem CID135401267
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name2-[(E)-(2-ethylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]-4-methoxyphenol
SMILESCC/N=c1\scc(-c2cccs2)n1/N=C/c1cc(OC)ccc1O
InChIInChI=1S/C17H17N3O2S2/c1-3-18-17-20(14(11-24-17)16-5-4-8-23-16)19-10-12-9-13(22-2)6-7-15(12)21/h4-11,21H,3H2,1-2H3/b18-17-,19-10+
InChIKeyOWOYGCFFKYXLAG-PRUPWKLTSA-N
XLogP3.80
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.80
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

(E)-4-[4-(difluoromethoxy)phenyl]-N-methyl-3-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6903740
2-[(E)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenol
CID 135401264
4-[(E)-[2-(2-methylprop-2-enylimino)-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135684468
(E)-4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6905379
4-Methoxy-2-{(E)-[(thiophen-2-yl)methylimino]methyl}phenol
CID 135595928
3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 2361382
4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2365148
4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 2369266
4-[4-(difluoromethoxy)phenyl]-N-methyl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2388730
4-(5-bromothiophen-2-yl)-3-[[2-(difluoromethoxy)phenyl]methylideneamino]-N-ethyl-1,3-thiazol-2-imine
CID 2401278
4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2431313
(Z)-3-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 5676218

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2-ethylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]-4-methoxyphenol?
The IUPAC name of 2-[(E)-(2-ethylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]-4-methoxyphenol (CID 135401267) is 2-[(E)-(2-ethylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(E)-(2-ethylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]-4-methoxyphenol?
The canonical SMILES for 2-[(E)-(2-ethylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]-4-methoxyphenol is CC/N=c1\scc(-c2cccs2)n1/N=C/c1cc(OC)ccc1O.
What is the InChIKey of 2-[(E)-(2-ethylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]-4-methoxyphenol?
The InChIKey is OWOYGCFFKYXLAG-PRUPWKLTSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-3-18-17-20(14(11-24-17)16-5-4-8-23-16)19-10-12-9-13(22-2)6-7-15(12)21/h4-11,21H,3H2,1-2H3/b18-17-,19-10+.
What are the key properties of 2-[(E)-(2-ethylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]-4-methoxyphenol?
2-[(E)-(2-ethylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]-4-methoxyphenol has a molecular weight of 359.48 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2-ethylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]-4-methoxyphenol is sourced from PubChem (CID 135401267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).