(E)-1-(3-bromo-4-methoxyphenyl)-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)methanimine

C19H15BrN2O2S — CID 46741674

IUPAC(E)-1-(3-bromo-4-methoxyphenyl)-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)methanimine
SMILESCOc1ccc2c(c1)Cc1sc(/N=C/c3ccc(OC)c(Br)c3)nc1-2
InChIInChI=1S/C19H15BrN2O2S/c1-23-13-4-5-14-12(8-13)9-17-18(14)22-19(25-17)21-10-11-3-6-16(24-2)15(20)7-11/h3-8,10H,9H2,1-2H3/b21-10+
InChIKeyKQQZKXOWUHXDDW-UFFVCSGVSA-N
MW415.31 g/mol
LogP5.24
Rot. Bonds4

About (E)-1-(3-bromo-4-methoxyphenyl)-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)methanimine

(E)-1-(3-bromo-4-methoxyphenyl)-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)methanimine (PubChem CID 46741674) has the molecular formula C19H15BrN2O2S and a molecular weight of 415.31 g/mol. Its IUPAC name is (E)-1-(3-bromo-4-methoxyphenyl)-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(3-bromo-4-methoxyphenyl)-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)methanimine
PubChem CID46741674
Molecular FormulaC19H15BrN2O2S
Molecular Weight415.31 g/mol
Exact Mass414.00
IUPAC Name(E)-1-(3-bromo-4-methoxyphenyl)-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)methanimine
SMILESCOc1ccc2c(c1)Cc1sc(/N=C/c3ccc(OC)c(Br)c3)nc1-2
InChIInChI=1S/C19H15BrN2O2S/c1-23-13-4-5-14-12(8-13)9-17-18(14)22-19(25-17)21-10-11-3-6-16(24-2)15(20)7-11/h3-8,10H,9H2,1-2H3/b21-10+
InChIKeyKQQZKXOWUHXDDW-UFFVCSGVSA-N
XLogP5.24
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.31
LogP ≤ 55.24
H-Bond Donors ≤ 50
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-[(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-phenylmethanimine
CID 126053450
1-(4-chloro-3-methoxyphenyl)-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)methanimine
CID 23904578
N-hydroxy-N'-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)methanimidamide
CID 71595813
4-[(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol
CID 135670479
1-(2-chlorophenyl)-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)methanimine
CID 126054141
2-methoxy-6-[(E)-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol
CID 135578290
N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-(3-chlorophenyl)methanimine
CID 4122585
N-hydroxy-N'-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)methanimidamide
CID 6409661
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)methanimine
CID 23855954
methyl 4-[(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)iminomethyl]benzoate
CID 126056150

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-bromo-4-methoxyphenyl)-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)methanimine?
The IUPAC name of (E)-1-(3-bromo-4-methoxyphenyl)-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)methanimine (CID 46741674) is (E)-1-(3-bromo-4-methoxyphenyl)-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)methanimine.
What is the SMILES notation for (E)-1-(3-bromo-4-methoxyphenyl)-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)methanimine?
The canonical SMILES for (E)-1-(3-bromo-4-methoxyphenyl)-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)methanimine is COc1ccc2c(c1)Cc1sc(/N=C/c3ccc(OC)c(Br)c3)nc1-2.
What is the InChIKey of (E)-1-(3-bromo-4-methoxyphenyl)-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)methanimine?
The InChIKey is KQQZKXOWUHXDDW-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H15BrN2O2S/c1-23-13-4-5-14-12(8-13)9-17-18(14)22-19(25-17)21-10-11-3-6-16(24-2)15(20)7-11/h3-8,10H,9H2,1-2H3/b21-10+.
What are the key properties of (E)-1-(3-bromo-4-methoxyphenyl)-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)methanimine?
(E)-1-(3-bromo-4-methoxyphenyl)-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)methanimine has a molecular weight of 415.31 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-bromo-4-methoxyphenyl)-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)methanimine is sourced from PubChem (CID 46741674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).