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

C10H12F3N3S — CID 118970172

IUPAC2-[3-methyl-2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1,3-thiazol-4-amine
SMILESCC1=CC(C2NC(N)=CS2)=CNC1C(F)(F)F
InChIInChI=1S/C10H12F3N3S/c1-5-2-6(9-16-7(14)4-17-9)3-15-8(5)10(11,12)13/h2-4,8-9,15-16H,14H2,1H3
InChIKeyHHCWOQOIOHDRLC-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.77
Rot. Bonds1

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

2-[3-methyl-2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1,3-thiazol-4-amine (PubChem CID 118970172) has the molecular formula C10H12F3N3S and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[3-methyl-2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-[3-methyl-2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1,3-thiazol-4-amine
PubChem CID118970172
Molecular FormulaC10H12F3N3S
Molecular Weight263.29 g/mol
Exact Mass263.07
IUPAC Name2-[3-methyl-2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1,3-thiazol-4-amine
SMILESCC1=CC(C2NC(N)=CS2)=CNC1C(F)(F)F
InChIInChI=1S/C10H12F3N3S/c1-5-2-6(9-16-7(14)4-17-9)3-15-8(5)10(11,12)13/h2-4,8-9,15-16H,14H2,1H3
InChIKeyHHCWOQOIOHDRLC-UHFFFAOYSA-N
XLogP1.77
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-thiazol-4-amine?
The IUPAC name of 2-[3-methyl-2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1,3-thiazol-4-amine (CID 118970172) is 2-[3-methyl-2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1,3-thiazol-4-amine.
What is the SMILES notation for 2-[3-methyl-2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1,3-thiazol-4-amine?
The canonical SMILES for 2-[3-methyl-2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1,3-thiazol-4-amine is CC1=CC(C2NC(N)=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-thiazol-4-amine?
The InChIKey is HHCWOQOIOHDRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3S/c1-5-2-6(9-16-7(14)4-17-9)3-15-8(5)10(11,12)13/h2-4,8-9,15-16H,14H2,1H3.
What are the key properties of 2-[3-methyl-2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1,3-thiazol-4-amine?
2-[3-methyl-2-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-2,3-dihydro-1,3-thiazol-4-amine has a molecular weight of 263.29 g/mol, XLogP of 1.77, 1 rotatable bonds, 3 hydrogen bond donors, and 4 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-thiazol-4-amine is sourced from PubChem (CID 118970172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).