2-methoxy-4-[(E)-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol

C20H18N2O3S — CID 135498052

IUPAC2-methoxy-4-[(E)-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol
SMILESCOc1ccc2c(c1)-c1nc(/N=C/c3ccc(O)c(OC)c3)sc1CC2
InChIInChI=1S/C20H18N2O3S/c1-24-14-6-4-13-5-8-18-19(15(13)10-14)22-20(26-18)21-11-12-3-7-16(23)17(9-12)25-2/h3-4,6-7,9-11,23H,5,8H2,1-2H3/b21-11+
InChIKeyUJQZNKYKJTWKJX-SRZZPIQSSA-N
MW366.44 g/mol
LogP4.38
Rot. Bonds4

About 2-methoxy-4-[(E)-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol

2-methoxy-4-[(E)-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol (PubChem CID 135498052) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-methoxy-4-[(E)-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(E)-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol
PubChem CID135498052
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name2-methoxy-4-[(E)-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol
SMILESCOc1ccc2c(c1)-c1nc(/N=C/c3ccc(O)c(OC)c3)sc1CC2
InChIInChI=1S/C20H18N2O3S/c1-24-14-6-4-13-5-8-18-19(15(13)10-14)22-20(26-18)21-11-12-3-7-16(23)17(9-12)25-2/h3-4,6-7,9-11,23H,5,8H2,1-2H3/b21-11+
InChIKeyUJQZNKYKJTWKJX-SRZZPIQSSA-N
XLogP4.38
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-methoxy-4-[(E)-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol?
The IUPAC name of 2-methoxy-4-[(E)-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol (CID 135498052) is 2-methoxy-4-[(E)-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(E)-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol?
The canonical SMILES for 2-methoxy-4-[(E)-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol is COc1ccc2c(c1)-c1nc(/N=C/c3ccc(O)c(OC)c3)sc1CC2.
What is the InChIKey of 2-methoxy-4-[(E)-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol?
The InChIKey is UJQZNKYKJTWKJX-SRZZPIQSSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-24-14-6-4-13-5-8-18-19(15(13)10-14)22-20(26-18)21-11-12-3-7-16(23)17(9-12)25-2/h3-4,6-7,9-11,23H,5,8H2,1-2H3/b21-11+.
What are the key properties of 2-methoxy-4-[(E)-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol?
2-methoxy-4-[(E)-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol has a molecular weight of 366.44 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(E)-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol is sourced from PubChem (CID 135498052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).