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

C16H13BrClFN2OS — CID 2840310

IUPACN-(4-chlorophenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.COc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1F
InChIInChI=1S/C16H12ClFN2OS.BrH/c1-21-15-7-2-10(8-13(15)18)14-9-22-16(20-14)19-12-5-3-11(17)4-6-12;/h2-9H,1H3,(H,19,20);1H
InChIKeyADQDUBFGJHVSMW-UHFFFAOYSA-N
MW415.72 g/mol
LogP5.93
Rot. Bonds4

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

N-(4-chlorophenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide (PubChem CID 2840310) has the molecular formula C16H13BrClFN2OS and a molecular weight of 415.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
PubChem CID2840310
Molecular FormulaC16H13BrClFN2OS
Molecular Weight415.72 g/mol
Exact Mass413.96
IUPAC NameN-(4-chlorophenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.COc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1F
InChIInChI=1S/C16H12ClFN2OS.BrH/c1-21-15-7-2-10(8-13(15)18)14-9-22-16(20-14)19-12-5-3-11(17)4-6-12;/h2-9H,1H3,(H,19,20);1H
InChIKeyADQDUBFGJHVSMW-UHFFFAOYSA-N
XLogP5.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.72
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of N-(4-chlorophenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide (CID 2840310) is N-(4-chlorophenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for N-(4-chlorophenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide is Br.COc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1F.
What is the InChIKey of N-(4-chlorophenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is ADQDUBFGJHVSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2OS.BrH/c1-21-15-7-2-10(8-13(15)18)14-9-22-16(20-14)19-12-5-3-11(17)4-6-12;/h2-9H,1H3,(H,19,20);1H.
What are the key properties of N-(4-chlorophenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide?
N-(4-chlorophenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 415.72 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 2840310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).