4-(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide

C21H16BrFN2OS — CID 2858168

IUPAC4-(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Fc1ccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C21H15FN2OS.BrH/c22-16-8-6-15(7-9-16)20-14-26-21(24-20)23-17-10-12-19(13-11-17)25-18-4-2-1-3-5-18;/h1-14H,(H,23,24);1H
InChIKeyCEIVHBISNOTZNQ-UHFFFAOYSA-N
MW443.34 g/mol
LogP7.06
Rot. Bonds5

About 4-(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide

4-(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide (PubChem CID 2858168) has the molecular formula C21H16BrFN2OS and a molecular weight of 443.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
PubChem CID2858168
Molecular FormulaC21H16BrFN2OS
Molecular Weight443.34 g/mol
Exact Mass442.02
IUPAC Name4-(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Fc1ccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C21H15FN2OS.BrH/c22-16-8-6-15(7-9-16)20-14-26-21(24-20)23-17-10-12-19(13-11-17)25-18-4-2-1-3-5-18;/h1-14H,(H,23,24);1H
InChIKeyCEIVHBISNOTZNQ-UHFFFAOYSA-N
XLogP7.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.34
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-N-(3-phenoxyphenyl)-1,3-thiazol-2-amine
CID 58791434
N,4-bis(4-fluorophenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840600
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4093037
4-(4-fluoro-3-methylphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
CID 5230087
N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840281
N,N-dimethyl-4-[2-(4-phenoxyanilino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 58910466
N-(4-fluorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride
CID 163328871
N-[4-(4-methylphenoxy)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791876
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 166194872
N-(4-fluorophenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;hydrobromide
CID 91800824
1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 1044223

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of 4-(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide (CID 2858168) is 4-(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide is Br.Fc1ccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is CEIVHBISNOTZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2OS.BrH/c22-16-8-6-15(7-9-16)20-14-26-21(24-20)23-17-10-12-19(13-11-17)25-18-4-2-1-3-5-18;/h1-14H,(H,23,24);1H.
What are the key properties of 4-(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide?
4-(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 443.34 g/mol, XLogP of 7.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 2858168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).