3-(benzylideneamino)-4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-imine

C17H14BrN3S — CID 2383546

IUPAC3-(benzylideneamino)-4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(Br)cc2)n1N=Cc1ccccc1
InChIInChI=1S/C17H14BrN3S/c1-19-17-21(20-11-13-5-3-2-4-6-13)16(12-22-17)14-7-9-15(18)10-8-14/h2-12H,1H3/b19-17-,20-11?
InChIKeyGXNYZAVTPQCKOZ-JJBJCRQGSA-N
MW372.29 g/mol
LogP4.39
Rot. Bonds3

About 3-(benzylideneamino)-4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-imine

3-(benzylideneamino)-4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-imine (PubChem CID 2383546) has the molecular formula C17H14BrN3S and a molecular weight of 372.29 g/mol. Its IUPAC name is 3-(benzylideneamino)-4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(benzylideneamino)-4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-imine
PubChem CID2383546
Molecular FormulaC17H14BrN3S
Molecular Weight372.29 g/mol
Exact Mass371.01
IUPAC Name3-(benzylideneamino)-4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(Br)cc2)n1N=Cc1ccccc1
InChIInChI=1S/C17H14BrN3S/c1-19-17-21(20-11-13-5-3-2-4-6-13)16(12-22-17)14-7-9-15(18)10-8-14/h2-12H,1H3/b19-17-,20-11?
InChIKeyGXNYZAVTPQCKOZ-JJBJCRQGSA-N
XLogP4.39
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(benzylideneamino)-4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-bromophenyl)methylideneamino]-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-imine
CID 23966226
4-(4-bromophenyl)-3-[(2-bromophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 5137848
N-methyl-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
CID 2383492
(Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 7959634
(Z)-4-(4-bromophenyl)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 7975149
(E)-N-methyl-4-(4-methylphenyl)-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6904796
N-methyl-4-(4-nitrophenyl)-3-[(4-nitrophenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23850330
2-bromo-6-methoxy-4-[(2-methylimino-4-phenyl-1,3-thiazol-3-yl)iminomethyl]phenol
CID 135760996
4-(4-bromophenyl)-N-ethyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
CID 4318026
4-(3-bromophenyl)-3-[(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 2339862
N,N-diethyl-4-[[4-(4-ethylphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]aniline
CID 2372317
4-(4-chlorophenyl)-3-[(4-ethoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 4286455

Frequently Asked Questions

What is the IUPAC name of 3-(benzylideneamino)-4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-imine?
The IUPAC name of 3-(benzylideneamino)-4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-imine (CID 2383546) is 3-(benzylideneamino)-4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(benzylideneamino)-4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-imine?
The canonical SMILES for 3-(benzylideneamino)-4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccc(Br)cc2)n1N=Cc1ccccc1.
What is the InChIKey of 3-(benzylideneamino)-4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-imine?
The InChIKey is GXNYZAVTPQCKOZ-JJBJCRQGSA-N. The full InChI is InChI=1S/C17H14BrN3S/c1-19-17-21(20-11-13-5-3-2-4-6-13)16(12-22-17)14-7-9-15(18)10-8-14/h2-12H,1H3/b19-17-,20-11?.
What are the key properties of 3-(benzylideneamino)-4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-imine?
3-(benzylideneamino)-4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-imine has a molecular weight of 372.29 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylideneamino)-4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 2383546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).