4-[(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)iminomethyl]phenol

C18H14N2O2S — CID 137170332

IUPAC4-[(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)iminomethyl]phenol
SMILESCOc1ccc2c(c1)Cc1sc(N=Cc3ccc(O)cc3)nc1-2
InChIInChI=1S/C18H14N2O2S/c1-22-14-6-7-15-12(8-14)9-16-17(15)20-18(23-16)19-10-11-2-4-13(21)5-3-11/h2-8,10,21H,9H2,1H3
InChIKeyONDKFOXDDGVTQS-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.18
Rot. Bonds3

About 4-[(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)iminomethyl]phenol

4-[(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)iminomethyl]phenol (PubChem CID 137170332) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is 4-[(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)iminomethyl]phenol.

Molecular Properties

Compound Name4-[(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)iminomethyl]phenol
PubChem CID137170332
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC Name4-[(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)iminomethyl]phenol
SMILESCOc1ccc2c(c1)Cc1sc(N=Cc3ccc(O)cc3)nc1-2
InChIInChI=1S/C18H14N2O2S/c1-22-14-6-7-15-12(8-14)9-16-17(15)20-18(23-16)19-10-11-2-4-13(21)5-3-11/h2-8,10,21H,9H2,1H3
InChIKeyONDKFOXDDGVTQS-UHFFFAOYSA-N
XLogP4.18
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.18
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

N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-(4-methoxyphenyl)methanimine
CID 126050200
4-[(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol
CID 135670479
N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-phenylmethanimine
CID 126053450
(E)-1-(3-bromo-4-methoxyphenyl)-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)methanimine
CID 46741674
N-hydroxy-N'-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)methanimidamide
CID 71595813
1-(2-chlorophenyl)-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)methanimine
CID 126054141
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
2-methoxy-6-[(E)-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol
CID 135578290
N-hydroxy-N'-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)methanimidamide
CID 6409661
2-[(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol
CID 754846
2-methoxy-6-[(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol
CID 1130025

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)iminomethyl]phenol?
The IUPAC name of 4-[(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)iminomethyl]phenol (CID 137170332) is 4-[(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)iminomethyl]phenol.
What is the SMILES notation for 4-[(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)iminomethyl]phenol?
The canonical SMILES for 4-[(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)iminomethyl]phenol is COc1ccc2c(c1)Cc1sc(N=Cc3ccc(O)cc3)nc1-2.
What is the InChIKey of 4-[(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)iminomethyl]phenol?
The InChIKey is ONDKFOXDDGVTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S/c1-22-14-6-7-15-12(8-14)9-16-17(15)20-18(23-16)19-10-11-2-4-13(21)5-3-11/h2-8,10,21H,9H2,1H3.
What are the key properties of 4-[(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)iminomethyl]phenol?
4-[(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)iminomethyl]phenol has a molecular weight of 322.39 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)iminomethyl]phenol is sourced from PubChem (CID 137170332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).