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

C11H11F3N2S — CID 2729141

IUPAC5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(Nc2ccccc2C(F)(F)F)S1
InChIInChI=1S/C11H11F3N2S/c1-7-6-15-10(17-7)16-9-5-3-2-4-8(9)11(12,13)14/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyOFEJRSOFLKICOC-UHFFFAOYSA-N
MW260.28 g/mol
LogP3.61
Rot. Bonds1

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

5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 2729141) has the molecular formula C11H11F3N2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID2729141
Molecular FormulaC11H11F3N2S
Molecular Weight260.28 g/mol
Exact Mass260.06
IUPAC Name5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(Nc2ccccc2C(F)(F)F)S1
InChIInChI=1S/C11H11F3N2S/c1-7-6-15-10(17-7)16-9-5-3-2-4-8(9)11(12,13)14/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyOFEJRSOFLKICOC-UHFFFAOYSA-N
XLogP3.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 2729141) is 5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(Nc2ccccc2C(F)(F)F)S1.
What is the InChIKey of 5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is OFEJRSOFLKICOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2S/c1-7-6-15-10(17-7)16-9-5-3-2-4-8(9)11(12,13)14/h2-5,7H,6H2,1H3,(H,15,16).
What are the key properties of 5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 260.28 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 2729141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).