N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-(3-chlorophenyl)methanimine

C18H12BrClN2OS — CID 4122585

IUPACN-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-(3-chlorophenyl)methanimine
SMILESCOc1ccc(Br)c2c1-c1nc(N=Cc3cccc(Cl)c3)sc1C2
InChIInChI=1S/C18H12BrClN2OS/c1-23-14-6-5-13(19)12-8-15-17(16(12)14)22-18(24-15)21-9-10-3-2-4-11(20)7-10/h2-7,9H,8H2,1H3
InChIKeyROROQIQMKHMMGC-UHFFFAOYSA-N
MW419.73 g/mol
LogP5.89
Rot. Bonds3

About N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-(3-chlorophenyl)methanimine

N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-(3-chlorophenyl)methanimine (PubChem CID 4122585) has the molecular formula C18H12BrClN2OS and a molecular weight of 419.73 g/mol. Its IUPAC name is N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-(3-chlorophenyl)methanimine.

Molecular Properties

Compound NameN-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-(3-chlorophenyl)methanimine
PubChem CID4122585
Molecular FormulaC18H12BrClN2OS
Molecular Weight419.73 g/mol
Exact Mass417.95
IUPAC NameN-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-(3-chlorophenyl)methanimine
SMILESCOc1ccc(Br)c2c1-c1nc(N=Cc3cccc(Cl)c3)sc1C2
InChIInChI=1S/C18H12BrClN2OS/c1-23-14-6-5-13(19)12-8-15-17(16(12)14)22-18(24-15)21-9-10-3-2-4-11(20)7-10/h2-7,9H,8H2,1H3
InChIKeyROROQIQMKHMMGC-UHFFFAOYSA-N
XLogP5.89
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.73
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-(3-nitrophenyl)methanimine
CID 126045222
methyl 4-[(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)iminomethyl]benzoate
CID 126056150
N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-(3-methylthiophen-2-yl)methanimine
CID 126051547
(E)-1-(3-bromo-4-methoxyphenyl)-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)methanimine
CID 46741674
N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-chlorobenzamide
CID 29264733
N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide
CID 126061401
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-(3-bromophenyl)-N-(3-chloro-4-methoxyphenyl)methanimine
CID 21211700
1-(2-chlorophenyl)-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)methanimine
CID 126054141
4-[(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)iminomethyl]phenol
CID 137170332
N-[(3-chlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 2693736

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-(3-chlorophenyl)methanimine?
The IUPAC name of N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-(3-chlorophenyl)methanimine (CID 4122585) is N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-(3-chlorophenyl)methanimine.
What is the SMILES notation for N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-(3-chlorophenyl)methanimine?
The canonical SMILES for N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-(3-chlorophenyl)methanimine is COc1ccc(Br)c2c1-c1nc(N=Cc3cccc(Cl)c3)sc1C2.
What is the InChIKey of N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-(3-chlorophenyl)methanimine?
The InChIKey is ROROQIQMKHMMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClN2OS/c1-23-14-6-5-13(19)12-8-15-17(16(12)14)22-18(24-15)21-9-10-3-2-4-11(20)7-10/h2-7,9H,8H2,1H3.
What are the key properties of N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-(3-chlorophenyl)methanimine?
N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-(3-chlorophenyl)methanimine has a molecular weight of 419.73 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-8-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-(3-chlorophenyl)methanimine is sourced from PubChem (CID 4122585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).