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

C22H19N3OS — CID 23738832

IUPAC3-[(2-ethylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)iminomethyl]phenol
SMILESCC/N=c1\scc(-c2cccc3ccccc23)n1N=Cc1cccc(O)c1
InChIInChI=1S/C22H19N3OS/c1-2-23-22-25(24-14-16-7-5-10-18(26)13-16)21(15-27-22)20-12-6-9-17-8-3-4-11-19(17)20/h3-15,26H,2H2,1H3/b23-22-,24-14?
InChIKeyGTOYGTGDFZLTPY-LLYREEFOSA-N
MW373.48 g/mol
LogP4.88
Rot. Bonds4

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

3-[(2-ethylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)iminomethyl]phenol (PubChem CID 23738832) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-[(2-ethylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)iminomethyl]phenol.

Molecular Properties

Compound Name3-[(2-ethylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)iminomethyl]phenol
PubChem CID23738832
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC Name3-[(2-ethylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)iminomethyl]phenol
SMILESCC/N=c1\scc(-c2cccc3ccccc23)n1N=Cc1cccc(O)c1
InChIInChI=1S/C22H19N3OS/c1-2-23-22-25(24-14-16-7-5-10-18(26)13-16)21(15-27-22)20-12-6-9-17-8-3-4-11-19(17)20/h3-15,26H,2H2,1H3/b23-22-,24-14?
InChIKeyGTOYGTGDFZLTPY-LLYREEFOSA-N
XLogP4.88
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)iminomethyl]phenol?
The IUPAC name of 3-[(2-ethylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)iminomethyl]phenol (CID 23738832) is 3-[(2-ethylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)iminomethyl]phenol.
What is the SMILES notation for 3-[(2-ethylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)iminomethyl]phenol?
The canonical SMILES for 3-[(2-ethylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)iminomethyl]phenol is CC/N=c1\scc(-c2cccc3ccccc23)n1N=Cc1cccc(O)c1.
What is the InChIKey of 3-[(2-ethylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)iminomethyl]phenol?
The InChIKey is GTOYGTGDFZLTPY-LLYREEFOSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-2-23-22-25(24-14-16-7-5-10-18(26)13-16)21(15-27-22)20-12-6-9-17-8-3-4-11-19(17)20/h3-15,26H,2H2,1H3/b23-22-,24-14?.
What are the key properties of 3-[(2-ethylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)iminomethyl]phenol?
3-[(2-ethylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)iminomethyl]phenol has a molecular weight of 373.48 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)iminomethyl]phenol is sourced from PubChem (CID 23738832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).