4-[2-[3-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-amine

C16H11F3N2OS — CID 71463182

IUPAC4-[2-[3-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2-c2cccc(OC(F)(F)F)c2)cs1
InChIInChI=1S/C16H11F3N2OS/c17-16(18,19)22-11-5-3-4-10(8-11)12-6-1-2-7-13(12)14-9-23-15(20)21-14/h1-9H,(H2,20,21)
InChIKeyBSUUSNNJXUZPTQ-UHFFFAOYSA-N
MW336.34 g/mol
LogP4.96
Rot. Bonds3

About 4-[2-[3-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-amine

4-[2-[3-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-amine (PubChem CID 71463182) has the molecular formula C16H11F3N2OS and a molecular weight of 336.34 g/mol. Its IUPAC name is 4-[2-[3-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[3-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-amine
PubChem CID71463182
Molecular FormulaC16H11F3N2OS
Molecular Weight336.34 g/mol
Exact Mass336.05
IUPAC Name4-[2-[3-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2-c2cccc(OC(F)(F)F)c2)cs1
InChIInChI=1S/C16H11F3N2OS/c17-16(18,19)22-11-5-3-4-10(8-11)12-6-1-2-7-13(12)14-9-23-15(20)21-14/h1-9H,(H2,20,21)
InChIKeyBSUUSNNJXUZPTQ-UHFFFAOYSA-N
XLogP4.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline
CID 134624108
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
5-(2-fluorophenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazole
CID 59363988
2-methyl-3-[3-(trifluoromethoxy)phenyl]aniline
CID 107626546
3-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
CID 134624116
5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 22326853
2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine
CID 118828810
6-amino-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 87405373
2-[3-[3-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-yl]aniline
CID 71694720
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
4-methyl-2,6-bis[3-(trifluoromethoxy)phenyl]aniline
CID 23628482
3-methyl-4-[3-(trifluoromethoxy)phenyl]thiophene
CID 145460723

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[3-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-amine (CID 71463182) is 4-[2-[3-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[3-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[3-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-amine is Nc1nc(-c2ccccc2-c2cccc(OC(F)(F)F)c2)cs1.
What is the InChIKey of 4-[2-[3-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-amine?
The InChIKey is BSUUSNNJXUZPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2OS/c17-16(18,19)22-11-5-3-4-10(8-11)12-6-1-2-7-13(12)14-9-23-15(20)21-14/h1-9H,(H2,20,21).
What are the key properties of 4-[2-[3-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-amine?
4-[2-[3-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-amine has a molecular weight of 336.34 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 71463182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).