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

C11H11F3N2S — CID 6923861

IUPAC(5S)-5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESC[C@H]1CN=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)/t7-/m0/s1
InChIKeyOFEJRSOFLKICOC-ZETCQYMHSA-N
MW260.28 g/mol
LogP3.61
Rot. Bonds1

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

(5S)-5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 6923861) has the molecular formula C11H11F3N2S and a molecular weight of 260.28 g/mol. Its IUPAC name is (5S)-5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(5S)-5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID6923861
Molecular FormulaC11H11F3N2S
Molecular Weight260.28 g/mol
Exact Mass260.06
IUPAC Name(5S)-5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESC[C@H]1CN=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)/t7-/m0/s1
InChIKeyOFEJRSOFLKICOC-ZETCQYMHSA-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 (5S)-5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (5S)-5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 6923861) is (5S)-5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (5S)-5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (5S)-5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine is C[C@H]1CN=C(Nc2ccccc2C(F)(F)F)S1.
What is the InChIKey of (5S)-5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is OFEJRSOFLKICOC-ZETCQYMHSA-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)/t7-/m0/s1.
What are the key properties of (5S)-5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
(5S)-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 (5S)-5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 6923861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).