4-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C17H13F3N2OS — CID 56660116

IUPAC4-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3ccccc3C(F)(F)F)n2)cc1
InChIInChI=1S/C17H13F3N2OS/c1-23-12-8-6-11(7-9-12)15-10-24-16(22-15)21-14-5-3-2-4-13(14)17(18,19)20/h2-10H,1H3,(H,21,22)
InChIKeyZESLZNJNGXPTAA-UHFFFAOYSA-N
MW350.37 g/mol
LogP5.58
Rot. Bonds4

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

4-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 56660116) has the molecular formula C17H13F3N2OS and a molecular weight of 350.37 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID56660116
Molecular FormulaC17H13F3N2OS
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC Name4-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3ccccc3C(F)(F)F)n2)cc1
InChIInChI=1S/C17H13F3N2OS/c1-23-12-8-6-11(7-9-12)15-10-24-16(22-15)21-14-5-3-2-4-13(14)17(18,19)20/h2-10H,1H3,(H,21,22)
InChIKeyZESLZNJNGXPTAA-UHFFFAOYSA-N
XLogP5.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.37
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 853927
methyl-oxo-[3-[2-[2-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]azanium
CID 89283179
N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2303545
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4093037
5-[2-[2-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 29109545
2-(4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole
CID 162536924
[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazine
CID 5211248
2,2,2-trifluoro-N'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetohydrazide
CID 1497723
N-[2-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791198
3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
CID 768029
2,2,2-trifluoroethyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamate
CID 50989248
N-pyridin-2-yl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 122499786

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 56660116) is 4-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is COc1ccc(-c2csc(Nc3ccccc3C(F)(F)F)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is ZESLZNJNGXPTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2OS/c1-23-12-8-6-11(7-9-12)15-10-24-16(22-15)21-14-5-3-2-4-13(14)17(18,19)20/h2-10H,1H3,(H,21,22).
What are the key properties of 4-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
4-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 350.37 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 56660116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).