N-[2-fluoro-4-(trifluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-amine

C11H8F4N2OS — CID 88926284

IUPACN-[2-fluoro-4-(trifluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(Nc2ccc(OC(F)(F)F)cc2F)s1
InChIInChI=1S/C11H8F4N2OS/c1-6-5-16-10(19-6)17-9-3-2-7(4-8(9)12)18-11(13,14)15/h2-5H,1H3,(H,16,17)
InChIKeyXPOJEHLDSSKQDU-UHFFFAOYSA-N
MW292.26 g/mol
LogP4.23
Rot. Bonds3

About N-[2-fluoro-4-(trifluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-amine

N-[2-fluoro-4-(trifluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 88926284) has the molecular formula C11H8F4N2OS and a molecular weight of 292.26 g/mol. Its IUPAC name is N-[2-fluoro-4-(trifluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-fluoro-4-(trifluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-amine
PubChem CID88926284
Molecular FormulaC11H8F4N2OS
Molecular Weight292.26 g/mol
Exact Mass292.03
IUPAC NameN-[2-fluoro-4-(trifluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(Nc2ccc(OC(F)(F)F)cc2F)s1
InChIInChI=1S/C11H8F4N2OS/c1-6-5-16-10(19-6)17-9-3-2-7(4-8(9)12)18-11(13,14)15/h2-5H,1H3,(H,16,17)
InChIKeyXPOJEHLDSSKQDU-UHFFFAOYSA-N
XLogP4.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(trifluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-fluoro-4-(trifluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-amine (CID 88926284) is N-[2-fluoro-4-(trifluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-fluoro-4-(trifluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-fluoro-4-(trifluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-amine is Cc1cnc(Nc2ccc(OC(F)(F)F)cc2F)s1.
What is the InChIKey of N-[2-fluoro-4-(trifluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is XPOJEHLDSSKQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N2OS/c1-6-5-16-10(19-6)17-9-3-2-7(4-8(9)12)18-11(13,14)15/h2-5H,1H3,(H,16,17).
What are the key properties of N-[2-fluoro-4-(trifluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-amine?
N-[2-fluoro-4-(trifluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 292.26 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(trifluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 88926284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).