N,4-bis(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-imine;hydrobromide

C17H15BrCl2N2S — CID 45125365

IUPACN,4-bis(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-imine;hydrobromide
SMILESBr.CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(Cl)cc1
InChIInChI=1S/C17H14Cl2N2S.BrH/c1-2-21-16(12-3-5-13(18)6-4-12)11-22-17(21)20-15-9-7-14(19)8-10-15;/h3-11H,2H2,1H3;1H/b20-17-;
InChIKeyCOFJDWMAOZKXEH-BZHDPTRRSA-N
MW430.20 g/mol
LogP6.35
Rot. Bonds3

About N,4-bis(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-imine;hydrobromide

N,4-bis(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-imine;hydrobromide (PubChem CID 45125365) has the molecular formula C17H15BrCl2N2S and a molecular weight of 430.20 g/mol. Its IUPAC name is N,4-bis(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-imine;hydrobromide.

Molecular Properties

Compound NameN,4-bis(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-imine;hydrobromide
PubChem CID45125365
Molecular FormulaC17H15BrCl2N2S
Molecular Weight430.20 g/mol
Exact Mass427.95
IUPAC NameN,4-bis(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-imine;hydrobromide
SMILESBr.CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(Cl)cc1
InChIInChI=1S/C17H14Cl2N2S.BrH/c1-2-21-16(12-3-5-13(18)6-4-12)11-22-17(21)20-15-9-7-14(19)8-10-15;/h3-11H,2H2,1H3;1H/b20-17-;
InChIKeyCOFJDWMAOZKXEH-BZHDPTRRSA-N
XLogP6.35
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.20
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
CID 18813132
4-(4-chlorophenyl)-N-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide
CID 45125372
2-[4-(4-tert-butylphenyl)-2-(4-chlorophenyl)imino-1,3-thiazol-3-yl]ethanol
CID 138392602
2-[4-(4-chlorophenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-3-yl]ethanol
CID 979063
2-[2-(4-chlorophenyl)imino-4-(4-ethoxyphenyl)-1,3-thiazol-3-yl]ethanol
CID 51370288
2-[2-(4-chlorophenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]ethanol
CID 3675136
N-(4-ethoxyphenyl)-3-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-imine
CID 18812902
2-[4-(4-chlorophenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol bromide
CID 21178881
4-(4-chlorophenyl)-N-(4-ethylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 138392799
4-[(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)amino]benzoic acid
CID 23762242
N-(3,4-dimethylphenyl)-3-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 584019
3-ethyl-N-(3-methylphenyl)-4-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 18552881

Frequently Asked Questions

What is the IUPAC name of N,4-bis(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-imine;hydrobromide?
The IUPAC name of N,4-bis(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-imine;hydrobromide (CID 45125365) is N,4-bis(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-imine;hydrobromide.
What is the SMILES notation for N,4-bis(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-imine;hydrobromide?
The canonical SMILES for N,4-bis(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-imine;hydrobromide is Br.CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(Cl)cc1.
What is the InChIKey of N,4-bis(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-imine;hydrobromide?
The InChIKey is COFJDWMAOZKXEH-BZHDPTRRSA-N. The full InChI is InChI=1S/C17H14Cl2N2S.BrH/c1-2-21-16(12-3-5-13(18)6-4-12)11-22-17(21)20-15-9-7-14(19)8-10-15;/h3-11H,2H2,1H3;1H/b20-17-;.
What are the key properties of N,4-bis(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-imine;hydrobromide?
N,4-bis(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-imine;hydrobromide has a molecular weight of 430.20 g/mol, XLogP of 6.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-imine;hydrobromide is sourced from PubChem (CID 45125365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).