2-[3-methyl-2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1,3-thiazole

C10H11F3N2S — CID 118970391

IUPAC2-[3-methyl-2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1,3-thiazole
SMILESCC1=CC(C2NC=CS2)=CNC1C(F)(F)F
InChIInChI=1S/C10H11F3N2S/c1-6-4-7(9-14-2-3-16-9)5-15-8(6)10(11,12)13/h2-5,8-9,14-15H,1H3
InChIKeyHEEQZPUJGTXKCI-UHFFFAOYSA-N
MW248.27 g/mol
LogP2.48
Rot. Bonds1

About 2-[3-methyl-2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1,3-thiazole

2-[3-methyl-2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1,3-thiazole (PubChem CID 118970391) has the molecular formula C10H11F3N2S and a molecular weight of 248.27 g/mol. Its IUPAC name is 2-[3-methyl-2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[3-methyl-2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1,3-thiazole
PubChem CID118970391
Molecular FormulaC10H11F3N2S
Molecular Weight248.27 g/mol
Exact Mass248.06
IUPAC Name2-[3-methyl-2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1,3-thiazole
SMILESCC1=CC(C2NC=CS2)=CNC1C(F)(F)F
InChIInChI=1S/C10H11F3N2S/c1-6-4-7(9-14-2-3-16-9)5-15-8(6)10(11,12)13/h2-5,8-9,14-15H,1H3
InChIKeyHEEQZPUJGTXKCI-UHFFFAOYSA-N
XLogP2.48
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1,3-thiazole?
The IUPAC name of 2-[3-methyl-2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1,3-thiazole (CID 118970391) is 2-[3-methyl-2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[3-methyl-2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 2-[3-methyl-2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1,3-thiazole is CC1=CC(C2NC=CS2)=CNC1C(F)(F)F.
What is the InChIKey of 2-[3-methyl-2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1,3-thiazole?
The InChIKey is HEEQZPUJGTXKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2S/c1-6-4-7(9-14-2-3-16-9)5-15-8(6)10(11,12)13/h2-5,8-9,14-15H,1H3.
What are the key properties of 2-[3-methyl-2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1,3-thiazole?
2-[3-methyl-2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1,3-thiazole has a molecular weight of 248.27 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 118970391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).