4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;hydrobromide

C16H11BrF4N2S — CID 44789502

IUPAC4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Fc1ccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C16H10F4N2S.BrH/c17-12-6-4-10(5-7-12)14-9-23-15(22-14)21-13-3-1-2-11(8-13)16(18,19)20;/h1-9H,(H,21,22);1H
InChIKeySASBCVFMEOZFMB-UHFFFAOYSA-N
MW419.24 g/mol
LogP6.29
Rot. Bonds3

About 4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;hydrobromide

4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;hydrobromide (PubChem CID 44789502) has the molecular formula C16H11BrF4N2S and a molecular weight of 419.24 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;hydrobromide
PubChem CID44789502
Molecular FormulaC16H11BrF4N2S
Molecular Weight419.24 g/mol
Exact Mass417.98
IUPAC Name4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Fc1ccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C16H10F4N2S.BrH/c17-12-6-4-10(5-7-12)14-9-23-15(22-14)21-13-3-1-2-11(8-13)16(18,19)20;/h1-9H,(H,21,22);1H
InChIKeySASBCVFMEOZFMB-UHFFFAOYSA-N
XLogP6.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.24
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-naphthalen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 2249396
4-(1-oxidopyridin-1-ium-4-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 162457285
N,4-bis(4-fluorophenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840600
4-[3-(dimethylamino)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 156517729
ethane;3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzoic acid
CID 156795689
4-(1H-inden-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 159049155
4-(4-fluorophenyl)-N-(3-phenoxyphenyl)-1,3-thiazol-2-amine
CID 58791434
N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 118708822
3-chloro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzonitrile
CID 156506524
N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840281
1-oxido-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridin-1-ium-3-carboxamide
CID 156517790
carbanide;ethane;iron;4-(3-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 156795672

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of 4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;hydrobromide (CID 44789502) is 4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;hydrobromide is Br.Fc1ccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is SASBCVFMEOZFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N2S.BrH/c17-12-6-4-10(5-7-12)14-9-23-15(22-14)21-13-3-1-2-11(8-13)16(18,19)20;/h1-9H,(H,21,22);1H.
What are the key properties of 4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;hydrobromide?
4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 419.24 g/mol, XLogP of 6.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 44789502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).