2-methoxy-6-[(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol

C20H18N2O3S — CID 1130025

IUPAC2-methoxy-6-[(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol
SMILESCOc1ccc2c(c1)-c1nc(N=Cc3cccc(OC)c3O)sc1CC2
InChIInChI=1S/C20H18N2O3S/c1-24-14-8-6-12-7-9-17-18(15(12)10-14)22-20(26-17)21-11-13-4-3-5-16(25-2)19(13)23/h3-6,8,10-11,23H,7,9H2,1-2H3
InChIKeyYDDRREHNYRFMBJ-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.38
Rot. Bonds4

About 2-methoxy-6-[(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol

2-methoxy-6-[(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol (PubChem CID 1130025) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-methoxy-6-[(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol
PubChem CID1130025
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name2-methoxy-6-[(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol
SMILESCOc1ccc2c(c1)-c1nc(N=Cc3cccc(OC)c3O)sc1CC2
InChIInChI=1S/C20H18N2O3S/c1-24-14-8-6-12-7-9-17-18(15(12)10-14)22-20(26-17)21-11-13-4-3-5-16(25-2)19(13)23/h3-6,8,10-11,23H,7,9H2,1-2H3
InChIKeyYDDRREHNYRFMBJ-UHFFFAOYSA-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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Related Compounds

2-methoxy-6-[(E)-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol
CID 135578290
2-[(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol
CID 754846
1-[(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]naphthalen-2-ol
CID 1130023
4-[(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol
CID 135670479
1-(4-chloro-3-methoxyphenyl)-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)methanimine
CID 23904578
1-(2-chlorophenyl)-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)methanimine
CID 126054141
2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
CID 135595493
N-hydroxy-N'-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)methanimidamide
CID 6409661
N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-(4-methoxyphenyl)methanimine
CID 126050200
N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-phenylmethanimine
CID 126053450
2-methoxy-6-[(Z)-[4-(4-methylphenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]iminomethyl]phenol
CID 135643526
2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methoxyphenol
CID 4120706

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol?
The IUPAC name of 2-methoxy-6-[(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol (CID 1130025) is 2-methoxy-6-[(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol.
What is the SMILES notation for 2-methoxy-6-[(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol?
The canonical SMILES for 2-methoxy-6-[(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol is COc1ccc2c(c1)-c1nc(N=Cc3cccc(OC)c3O)sc1CC2.
What is the InChIKey of 2-methoxy-6-[(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol?
The InChIKey is YDDRREHNYRFMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-24-14-8-6-12-7-9-17-18(15(12)10-14)22-20(26-17)21-11-13-4-3-5-16(25-2)19(13)23/h3-6,8,10-11,23H,7,9H2,1-2H3.
What are the key properties of 2-methoxy-6-[(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol?
2-methoxy-6-[(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-6-[(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol is sourced from PubChem (CID 1130025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).