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

C18H15BrClN3S — CID 3464210

IUPAC4-(4-bromophenyl)-3-[(2-chlorophenyl)methylideneamino]-N-ethyl-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccc(Br)cc2)n1N=Cc1ccccc1Cl
InChIInChI=1S/C18H15BrClN3S/c1-2-21-18-23(22-11-14-5-3-4-6-16(14)20)17(12-24-18)13-7-9-15(19)10-8-13/h3-12H,2H2,1H3/b21-18-,22-11?
InChIKeyDBAVREBICINPRT-AJQLFNJHSA-N
MW420.76 g/mol
LogP5.44
Rot. Bonds4

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

4-(4-bromophenyl)-3-[(2-chlorophenyl)methylideneamino]-N-ethyl-1,3-thiazol-2-imine (PubChem CID 3464210) has the molecular formula C18H15BrClN3S and a molecular weight of 420.76 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-[(2-chlorophenyl)methylideneamino]-N-ethyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-[(2-chlorophenyl)methylideneamino]-N-ethyl-1,3-thiazol-2-imine
PubChem CID3464210
Molecular FormulaC18H15BrClN3S
Molecular Weight420.76 g/mol
Exact Mass418.99
IUPAC Name4-(4-bromophenyl)-3-[(2-chlorophenyl)methylideneamino]-N-ethyl-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccc(Br)cc2)n1N=Cc1ccccc1Cl
InChIInChI=1S/C18H15BrClN3S/c1-2-21-18-23(22-11-14-5-3-4-6-16(14)20)17(12-24-18)13-7-9-15(19)10-8-13/h3-12H,2H2,1H3/b21-18-,22-11?
InChIKeyDBAVREBICINPRT-AJQLFNJHSA-N
XLogP5.44
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.76
LogP ≤ 55.44
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

4-bromo-2-[[4-(4-bromophenyl)-2-ethylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135548990
(Z)-N-ethyl-3-[(Z)-(2-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7959639
(E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6901226
4-(4-bromophenyl)-3-[(2-bromophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 5137848
(Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 7959634
4-(4-bromophenyl)-N-ethyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
CID 4318026
3-(benzylideneamino)-4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-imine
CID 2383546
(Z)-N-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7959628
N-ethyl-4-phenyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135610385
3-[(2-chlorophenyl)methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23934393
N-ethyl-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 23934163
4-(3,4-dichlorophenyl)-N-ethyl-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2448029

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-[(2-chlorophenyl)methylideneamino]-N-ethyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-bromophenyl)-3-[(2-chlorophenyl)methylideneamino]-N-ethyl-1,3-thiazol-2-imine (CID 3464210) is 4-(4-bromophenyl)-3-[(2-chlorophenyl)methylideneamino]-N-ethyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-bromophenyl)-3-[(2-chlorophenyl)methylideneamino]-N-ethyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-bromophenyl)-3-[(2-chlorophenyl)methylideneamino]-N-ethyl-1,3-thiazol-2-imine is CC/N=c1\scc(-c2ccc(Br)cc2)n1N=Cc1ccccc1Cl.
What is the InChIKey of 4-(4-bromophenyl)-3-[(2-chlorophenyl)methylideneamino]-N-ethyl-1,3-thiazol-2-imine?
The InChIKey is DBAVREBICINPRT-AJQLFNJHSA-N. The full InChI is InChI=1S/C18H15BrClN3S/c1-2-21-18-23(22-11-14-5-3-4-6-16(14)20)17(12-24-18)13-7-9-15(19)10-8-13/h3-12H,2H2,1H3/b21-18-,22-11?.
What are the key properties of 4-(4-bromophenyl)-3-[(2-chlorophenyl)methylideneamino]-N-ethyl-1,3-thiazol-2-imine?
4-(4-bromophenyl)-3-[(2-chlorophenyl)methylideneamino]-N-ethyl-1,3-thiazol-2-imine has a molecular weight of 420.76 g/mol, XLogP of 5.44, 4 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-chlorophenyl)methylideneamino]-N-ethyl-1,3-thiazol-2-imine is sourced from PubChem (CID 3464210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).