4-[(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol

C19H16N2O2S — CID 135670479

IUPAC4-[(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol
SMILESCOc1ccc2c(c1)CCc1sc(N=Cc3ccc(O)cc3)nc1-2
InChIInChI=1S/C19H16N2O2S/c1-23-15-7-8-16-13(10-15)4-9-17-18(16)21-19(24-17)20-11-12-2-5-14(22)6-3-12/h2-3,5-8,10-11,22H,4,9H2,1H3
InChIKeyFATJSKNVDCSJLH-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.37
Rot. Bonds3

About 4-[(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol

4-[(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol (PubChem CID 135670479) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 4-[(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol.

Molecular Properties

Compound Name4-[(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol
PubChem CID135670479
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name4-[(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol
SMILESCOc1ccc2c(c1)CCc1sc(N=Cc3ccc(O)cc3)nc1-2
InChIInChI=1S/C19H16N2O2S/c1-23-15-7-8-16-13(10-15)4-9-17-18(16)21-19(24-17)20-11-12-2-5-14(22)6-3-12/h2-3,5-8,10-11,22H,4,9H2,1H3
InChIKeyFATJSKNVDCSJLH-UHFFFAOYSA-N
XLogP4.37
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)iminomethyl]phenol
CID 137170332
N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-(4-methoxyphenyl)methanimine
CID 126050200
1-(4-chloro-3-methoxyphenyl)-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)methanimine
CID 23904578
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)methanimine
CID 23855954
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-phenylmethanimine
CID 126053450
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
(E)-1-(3-bromo-4-methoxyphenyl)-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)methanimine
CID 46741674
2-methoxy-6-[(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol
CID 1130025
1-[(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]naphthalen-2-ol
CID 1130023
N-hydroxy-N'-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)methanimidamide
CID 71595813

Frequently Asked Questions

What is the IUPAC name of 4-[(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol?
The IUPAC name of 4-[(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol (CID 135670479) is 4-[(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol.
What is the SMILES notation for 4-[(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol?
The canonical SMILES for 4-[(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol is COc1ccc2c(c1)CCc1sc(N=Cc3ccc(O)cc3)nc1-2.
What is the InChIKey of 4-[(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol?
The InChIKey is FATJSKNVDCSJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-23-15-7-8-16-13(10-15)4-9-17-18(16)21-19(24-17)20-11-12-2-5-14(22)6-3-12/h2-3,5-8,10-11,22H,4,9H2,1H3.
What are the key properties of 4-[(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol?
4-[(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol has a molecular weight of 336.42 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol is sourced from PubChem (CID 135670479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).