2-[(E)-(2-ethylimino-4-phenyl-1,3-thiazol-3-yl)iminomethyl]phenol

C18H17N3OS — CID 135691245

IUPAC2-[(E)-(2-ethylimino-4-phenyl-1,3-thiazol-3-yl)iminomethyl]phenol
SMILESCC/N=c1\scc(-c2ccccc2)n1/N=C/c1ccccc1O
InChIInChI=1S/C18H17N3OS/c1-2-19-18-21(20-12-15-10-6-7-11-17(15)22)16(13-23-18)14-8-4-3-5-9-14/h3-13,22H,2H2,1H3/b19-18-,20-12+
InChIKeyLUVFNTAISLNHRP-YGSHZMKTSA-N
MW323.42 g/mol
LogP3.72
Rot. Bonds4

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

2-[(E)-(2-ethylimino-4-phenyl-1,3-thiazol-3-yl)iminomethyl]phenol (PubChem CID 135691245) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-[(E)-(2-ethylimino-4-phenyl-1,3-thiazol-3-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(E)-(2-ethylimino-4-phenyl-1,3-thiazol-3-yl)iminomethyl]phenol
PubChem CID135691245
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name2-[(E)-(2-ethylimino-4-phenyl-1,3-thiazol-3-yl)iminomethyl]phenol
SMILESCC/N=c1\scc(-c2ccccc2)n1/N=C/c1ccccc1O
InChIInChI=1S/C18H17N3OS/c1-2-19-18-21(20-12-15-10-6-7-11-17(15)22)16(13-23-18)14-8-4-3-5-9-14/h3-13,22H,2H2,1H3/b19-18-,20-12+
InChIKeyLUVFNTAISLNHRP-YGSHZMKTSA-N
XLogP3.72
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(E)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenol
CID 135401264
4-[[(4-Methyl-2-methylimino-1,3-thiazol-3-yl)amino]methylidene]cyclohexa-2,5-dien-1-one
CID 135415472
4-[(E)-[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135519896
2-[3-(2-Hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 42604757
4-[(E)-[4-(4-fluorophenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
CID 135691066
4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135691133
4-[(E)-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)iminomethyl]benzene-1,3-diol
CID 135691065
2-[(E)-(5-phenyl-4H-1,3,4-thiadiazin-2-yl)iminomethyl]phenol bromide
CID 135956383
4-[[4-[4-(Difluoromethoxy)phenyl]-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 2390235
4-[[4-(4-Fluorophenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
CID 2393692
3-[[4-(2-Fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 2393698
2-[[4-(2-Fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 2393701

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2-ethylimino-4-phenyl-1,3-thiazol-3-yl)iminomethyl]phenol?
The IUPAC name of 2-[(E)-(2-ethylimino-4-phenyl-1,3-thiazol-3-yl)iminomethyl]phenol (CID 135691245) is 2-[(E)-(2-ethylimino-4-phenyl-1,3-thiazol-3-yl)iminomethyl]phenol.
What is the SMILES notation for 2-[(E)-(2-ethylimino-4-phenyl-1,3-thiazol-3-yl)iminomethyl]phenol?
The canonical SMILES for 2-[(E)-(2-ethylimino-4-phenyl-1,3-thiazol-3-yl)iminomethyl]phenol is CC/N=c1\scc(-c2ccccc2)n1/N=C/c1ccccc1O.
What is the InChIKey of 2-[(E)-(2-ethylimino-4-phenyl-1,3-thiazol-3-yl)iminomethyl]phenol?
The InChIKey is LUVFNTAISLNHRP-YGSHZMKTSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-2-19-18-21(20-12-15-10-6-7-11-17(15)22)16(13-23-18)14-8-4-3-5-9-14/h3-13,22H,2H2,1H3/b19-18-,20-12+.
What are the key properties of 2-[(E)-(2-ethylimino-4-phenyl-1,3-thiazol-3-yl)iminomethyl]phenol?
2-[(E)-(2-ethylimino-4-phenyl-1,3-thiazol-3-yl)iminomethyl]phenol has a molecular weight of 323.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2-ethylimino-4-phenyl-1,3-thiazol-3-yl)iminomethyl]phenol is sourced from PubChem (CID 135691245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).