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

C12H13F3N2OS — CID 671434

IUPAC5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4H-1,3-thiazol-2-amine
SMILESCC1(C)CN=C(Nc2ccc(OC(F)(F)F)cc2)S1
InChIInChI=1S/C12H13F3N2OS/c1-11(2)7-16-10(19-11)17-8-3-5-9(6-4-8)18-12(13,14)15/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyIJKMUBWMRBFKQX-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.88
Rot. Bonds2

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

5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4H-1,3-thiazol-2-amine (PubChem CID 671434) has the molecular formula C12H13F3N2OS and a molecular weight of 290.31 g/mol. Its IUPAC name is 5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4H-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4H-1,3-thiazol-2-amine
PubChem CID671434
Molecular FormulaC12H13F3N2OS
Molecular Weight290.31 g/mol
Exact Mass290.07
IUPAC Name5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4H-1,3-thiazol-2-amine
SMILESCC1(C)CN=C(Nc2ccc(OC(F)(F)F)cc2)S1
InChIInChI=1S/C12H13F3N2OS/c1-11(2)7-16-10(19-11)17-8-3-5-9(6-4-8)18-12(13,14)15/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyIJKMUBWMRBFKQX-UHFFFAOYSA-N
XLogP3.88
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4H-1,3-thiazol-2-amine?
The IUPAC name of 5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4H-1,3-thiazol-2-amine (CID 671434) is 5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4H-1,3-thiazol-2-amine.
What is the SMILES notation for 5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4H-1,3-thiazol-2-amine?
The canonical SMILES for 5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4H-1,3-thiazol-2-amine is CC1(C)CN=C(Nc2ccc(OC(F)(F)F)cc2)S1.
What is the InChIKey of 5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4H-1,3-thiazol-2-amine?
The InChIKey is IJKMUBWMRBFKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2OS/c1-11(2)7-16-10(19-11)17-8-3-5-9(6-4-8)18-12(13,14)15/h3-6H,7H2,1-2H3,(H,16,17).
What are the key properties of 5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4H-1,3-thiazol-2-amine?
5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4H-1,3-thiazol-2-amine has a molecular weight of 290.31 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4H-1,3-thiazol-2-amine is sourced from PubChem (CID 671434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).