4-(4-bromophenyl)-3-[(2-bromophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine

C17H13Br2N3S — CID 5137848

IUPAC4-(4-bromophenyl)-3-[(2-bromophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(Br)cc2)n1N=Cc1ccccc1Br
InChIInChI=1S/C17H13Br2N3S/c1-20-17-22(21-10-13-4-2-3-5-15(13)19)16(11-23-17)12-6-8-14(18)9-7-12/h2-11H,1H3/b20-17-,21-10?
InChIKeyONINVQJIUQKZDP-GTAFPLHQSA-N
MW451.19 g/mol
LogP5.15
Rot. Bonds3

About 4-(4-bromophenyl)-3-[(2-bromophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine

4-(4-bromophenyl)-3-[(2-bromophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine (PubChem CID 5137848) has the molecular formula C17H13Br2N3S and a molecular weight of 451.19 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-[(2-bromophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-[(2-bromophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
PubChem CID5137848
Molecular FormulaC17H13Br2N3S
Molecular Weight451.19 g/mol
Exact Mass448.92
IUPAC Name4-(4-bromophenyl)-3-[(2-bromophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(Br)cc2)n1N=Cc1ccccc1Br
InChIInChI=1S/C17H13Br2N3S/c1-20-17-22(21-10-13-4-2-3-5-15(13)19)16(11-23-17)12-6-8-14(18)9-7-12/h2-11H,1H3/b20-17-,21-10?
InChIKeyONINVQJIUQKZDP-GTAFPLHQSA-N
XLogP5.15
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.19
LogP ≤ 55.15
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

3-(benzylideneamino)-4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-imine
CID 2383546
3-[(4-bromophenyl)methylideneamino]-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-imine
CID 23966226
4-(4-bromophenyl)-3-[(2-chlorophenyl)methylideneamino]-N-ethyl-1,3-thiazol-2-imine
CID 3464210
4-(3-bromophenyl)-3-[(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 2339862
2,4-dibromo-6-[[4-(4-chlorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135704241
3-[(2-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine
CID 2448034
3-[(E)-[4-(3-bromophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135691194
(Z)-4-(4-bromophenyl)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 7975149
2,4-dibromo-6-[(Z)-[2-methylimino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]iminomethyl]phenol
CID 136799832
4-bromo-2-[[4-(4-bromophenyl)-2-ethylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135548990
2-bromo-6-methoxy-4-[(2-methylimino-4-phenyl-1,3-thiazol-3-yl)iminomethyl]phenol
CID 135760996
(E)-4-[4-(difluoromethoxy)phenyl]-N-methyl-3-[(E)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6904028

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-[(2-bromophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-bromophenyl)-3-[(2-bromophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine (CID 5137848) is 4-(4-bromophenyl)-3-[(2-bromophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-bromophenyl)-3-[(2-bromophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-bromophenyl)-3-[(2-bromophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccc(Br)cc2)n1N=Cc1ccccc1Br.
What is the InChIKey of 4-(4-bromophenyl)-3-[(2-bromophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine?
The InChIKey is ONINVQJIUQKZDP-GTAFPLHQSA-N. The full InChI is InChI=1S/C17H13Br2N3S/c1-20-17-22(21-10-13-4-2-3-5-15(13)19)16(11-23-17)12-6-8-14(18)9-7-12/h2-11H,1H3/b20-17-,21-10?.
What are the key properties of 4-(4-bromophenyl)-3-[(2-bromophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine?
4-(4-bromophenyl)-3-[(2-bromophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine has a molecular weight of 451.19 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-[(2-bromophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 5137848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).