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

C12H13F3N2S — CID 2389218

IUPAC4,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-amine
SMILESCC1(C)CSC(Nc2cccc(C(F)(F)F)c2)=N1
InChIInChI=1S/C12H13F3N2S/c1-11(2)7-18-10(17-11)16-9-5-3-4-8(6-9)12(13,14)15/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyCIZBLFDLXGYQGQ-UHFFFAOYSA-N
MW274.31 g/mol
LogP4.00
Rot. Bonds1

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

4,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-amine (PubChem CID 2389218) has the molecular formula C12H13F3N2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 4,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-amine
PubChem CID2389218
Molecular FormulaC12H13F3N2S
Molecular Weight274.31 g/mol
Exact Mass274.08
IUPAC Name4,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-amine
SMILESCC1(C)CSC(Nc2cccc(C(F)(F)F)c2)=N1
InChIInChI=1S/C12H13F3N2S/c1-11(2)7-18-10(17-11)16-9-5-3-4-8(6-9)12(13,14)15/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyCIZBLFDLXGYQGQ-UHFFFAOYSA-N
XLogP4.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-amine?
The IUPAC name of 4,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-amine (CID 2389218) is 4,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-amine.
What is the SMILES notation for 4,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-amine?
The canonical SMILES for 4,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-amine is CC1(C)CSC(Nc2cccc(C(F)(F)F)c2)=N1.
What is the InChIKey of 4,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-amine?
The InChIKey is CIZBLFDLXGYQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2S/c1-11(2)7-18-10(17-11)16-9-5-3-4-8(6-9)12(13,14)15/h3-6H,7H2,1-2H3,(H,16,17).
What are the key properties of 4,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-amine?
4,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-amine has a molecular weight of 274.31 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 2389218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).