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

C21H16BrClN2OS — CID 2858588

IUPAC4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Clc1ccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C21H15ClN2OS.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
InChIKeyMOYXXSYFRBYNOS-UHFFFAOYSA-N
MW459.80 g/mol
LogP7.58
Rot. Bonds5

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

4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide (PubChem CID 2858588) has the molecular formula C21H16BrClN2OS and a molecular weight of 459.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
PubChem CID2858588
Molecular FormulaC21H16BrClN2OS
Molecular Weight459.80 g/mol
Exact Mass457.99
IUPAC Name4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Clc1ccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C21H15ClN2OS.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
InChIKeyMOYXXSYFRBYNOS-UHFFFAOYSA-N
XLogP7.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.80
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of 4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide (CID 2858588) is 4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide is Br.Clc1ccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is MOYXXSYFRBYNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2OS.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-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide?
4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 459.80 g/mol, XLogP of 7.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 2858588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).