2-[2-(3-chlorophenyl)imino-4-(4-phenylphenyl)-1,3-thiazol-3-yl]ethanol;hydrobromide

C23H20BrClN2OS — CID 163332772

IUPAC2-[2-(3-chlorophenyl)imino-4-(4-phenylphenyl)-1,3-thiazol-3-yl]ethanol;hydrobromide
SMILESBr.OCCn1c(-c2ccc(-c3ccccc3)cc2)cs/c1=N\c1cccc(Cl)c1
InChIInChI=1S/C23H19ClN2OS.BrH/c24-20-7-4-8-21(15-20)25-23-26(13-14-27)22(16-28-23)19-11-9-18(10-12-19)17-5-2-1-3-6-17;/h1-12,15-16,27H,13-14H2;1H/b25-23-;
InChIKeyROUUFIWXHRRPKI-ADYMNVQMSA-N
MW487.85 g/mol
LogP6.34
Rot. Bonds5

About 2-[2-(3-chlorophenyl)imino-4-(4-phenylphenyl)-1,3-thiazol-3-yl]ethanol;hydrobromide

2-[2-(3-chlorophenyl)imino-4-(4-phenylphenyl)-1,3-thiazol-3-yl]ethanol;hydrobromide (PubChem CID 163332772) has the molecular formula C23H20BrClN2OS and a molecular weight of 487.85 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)imino-4-(4-phenylphenyl)-1,3-thiazol-3-yl]ethanol;hydrobromide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)imino-4-(4-phenylphenyl)-1,3-thiazol-3-yl]ethanol;hydrobromide
PubChem CID163332772
Molecular FormulaC23H20BrClN2OS
Molecular Weight487.85 g/mol
Exact Mass486.02
IUPAC Name2-[2-(3-chlorophenyl)imino-4-(4-phenylphenyl)-1,3-thiazol-3-yl]ethanol;hydrobromide
SMILESBr.OCCn1c(-c2ccc(-c3ccccc3)cc2)cs/c1=N\c1cccc(Cl)c1
InChIInChI=1S/C23H19ClN2OS.BrH/c24-20-7-4-8-21(15-20)25-23-26(13-14-27)22(16-28-23)19-11-9-18(10-12-19)17-5-2-1-3-6-17;/h1-12,15-16,27H,13-14H2;1H/b25-23-;
InChIKeyROUUFIWXHRRPKI-ADYMNVQMSA-N
XLogP6.34
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.85
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-chlorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
CID 755123
N-[2-[2-(3-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethyl]acetamide
CID 44761837
2-[4-(4-nitrophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol;hydrobromide
CID 71902601
2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol
CID 4996936
2-[2-(4-chlorophenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]ethanol
CID 3675136
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
3-(2-phenoxyethyl)-N,4-diphenyl-1,3-thiazol-2-imine
CID 44761853
2-[4-(4-chlorophenyl)-2-(2,3-dimethylphenyl)imino-1,3-thiazol-3-yl]ethanol;hydrobromide
CID 45135380
N-(3-chlorophenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine;hydrobromide
CID 17388964
2-[4-(4-chlorophenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol bromide
CID 21178881

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)imino-4-(4-phenylphenyl)-1,3-thiazol-3-yl]ethanol;hydrobromide?
The IUPAC name of 2-[2-(3-chlorophenyl)imino-4-(4-phenylphenyl)-1,3-thiazol-3-yl]ethanol;hydrobromide (CID 163332772) is 2-[2-(3-chlorophenyl)imino-4-(4-phenylphenyl)-1,3-thiazol-3-yl]ethanol;hydrobromide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)imino-4-(4-phenylphenyl)-1,3-thiazol-3-yl]ethanol;hydrobromide?
The canonical SMILES for 2-[2-(3-chlorophenyl)imino-4-(4-phenylphenyl)-1,3-thiazol-3-yl]ethanol;hydrobromide is Br.OCCn1c(-c2ccc(-c3ccccc3)cc2)cs/c1=N\c1cccc(Cl)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)imino-4-(4-phenylphenyl)-1,3-thiazol-3-yl]ethanol;hydrobromide?
The InChIKey is ROUUFIWXHRRPKI-ADYMNVQMSA-N. The full InChI is InChI=1S/C23H19ClN2OS.BrH/c24-20-7-4-8-21(15-20)25-23-26(13-14-27)22(16-28-23)19-11-9-18(10-12-19)17-5-2-1-3-6-17;/h1-12,15-16,27H,13-14H2;1H/b25-23-;.
What are the key properties of 2-[2-(3-chlorophenyl)imino-4-(4-phenylphenyl)-1,3-thiazol-3-yl]ethanol;hydrobromide?
2-[2-(3-chlorophenyl)imino-4-(4-phenylphenyl)-1,3-thiazol-3-yl]ethanol;hydrobromide has a molecular weight of 487.85 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)imino-4-(4-phenylphenyl)-1,3-thiazol-3-yl]ethanol;hydrobromide is sourced from PubChem (CID 163332772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).