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

C11H9F3N2S — CID 2118762

IUPAC4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C11H9F3N2S/c1-7-6-17-10(15-7)16-9-5-3-2-4-8(9)11(12,13)14/h2-6H,1H3,(H,15,16)
InChIKeyCWFYLIGSHQYRNF-UHFFFAOYSA-N
MW258.27 g/mol
LogP4.21
Rot. Bonds2

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

4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 2118762) has the molecular formula C11H9F3N2S and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID2118762
Molecular FormulaC11H9F3N2S
Molecular Weight258.27 g/mol
Exact Mass258.04
IUPAC Name4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C11H9F3N2S/c1-7-6-17-10(15-7)16-9-5-3-2-4-8(9)11(12,13)14/h2-6H,1H3,(H,15,16)
InChIKeyCWFYLIGSHQYRNF-UHFFFAOYSA-N
XLogP4.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 2118762) is 4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is Cc1csc(Nc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is CWFYLIGSHQYRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2S/c1-7-6-17-10(15-7)16-9-5-3-2-4-8(9)11(12,13)14/h2-6H,1H3,(H,15,16).
What are the key properties of 4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 258.27 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2118762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).