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

C16H14BrFN2S — CID 2840281

IUPACN-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C16H13FN2S.BrH/c1-11-2-4-12(5-3-11)15-10-20-16(19-15)18-14-8-6-13(17)7-9-14;/h2-10H,1H3,(H,18,19);1H
InChIKeyHFFABYOHAGLQOA-UHFFFAOYSA-N
MW365.27 g/mol
LogP5.58
Rot. Bonds3

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

N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide (PubChem CID 2840281) has the molecular formula C16H14BrFN2S and a molecular weight of 365.27 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
PubChem CID2840281
Molecular FormulaC16H14BrFN2S
Molecular Weight365.27 g/mol
Exact Mass364.00
IUPAC NameN-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C16H13FN2S.BrH/c1-11-2-4-12(5-3-11)15-10-20-16(19-15)18-14-8-6-13(17)7-9-14;/h2-10H,1H3,(H,18,19);1H
InChIKeyHFFABYOHAGLQOA-UHFFFAOYSA-N
XLogP5.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.27
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-(4-fluorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride
CID 163328871
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 1075886
4-(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858168
4-(4-fluorophenyl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 972745
N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
CID 156772101
4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 166194872
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiourea
CID 134105058
N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 134126795
4-[2-(4-methylanilino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 962878

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide (CID 2840281) is N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide is Br.Cc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is HFFABYOHAGLQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2S.BrH/c1-11-2-4-12(5-3-11)15-10-20-16(19-15)18-14-8-6-13(17)7-9-14;/h2-10H,1H3,(H,18,19);1H.
What are the key properties of N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide?
N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 365.27 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 2840281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).