N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]thieno[3,2-c]pyridin-4-amine

C13H10F3N3S — CID 163731556

IUPACN-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]thieno[3,2-c]pyridin-4-amine
SMILESFC(F)(F)C1CC=CC(Nc2nccc3sccc23)=N1
InChIInChI=1S/C13H10F3N3S/c14-13(15,16)10-2-1-3-11(18-10)19-12-8-5-7-20-9(8)4-6-17-12/h1,3-7,10H,2H2,(H,17,18,19)
InChIKeyKZZDEYFQGWPIPZ-UHFFFAOYSA-N
MW297.31 g/mol
LogP4.00
Rot. Bonds1

About N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]thieno[3,2-c]pyridin-4-amine

N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]thieno[3,2-c]pyridin-4-amine (PubChem CID 163731556) has the molecular formula C13H10F3N3S and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]thieno[3,2-c]pyridin-4-amine
PubChem CID163731556
Molecular FormulaC13H10F3N3S
Molecular Weight297.31 g/mol
Exact Mass297.05
IUPAC NameN-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]thieno[3,2-c]pyridin-4-amine
SMILESFC(F)(F)C1CC=CC(Nc2nccc3sccc23)=N1
InChIInChI=1S/C13H10F3N3S/c14-13(15,16)10-2-1-3-11(18-10)19-12-8-5-7-20-9(8)4-6-17-12/h1,3-7,10H,2H2,(H,17,18,19)
InChIKeyKZZDEYFQGWPIPZ-UHFFFAOYSA-N
XLogP4.00
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]thieno[3,2-c]pyridin-4-amine (CID 163731556) is N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]thieno[3,2-c]pyridin-4-amine is FC(F)(F)C1CC=CC(Nc2nccc3sccc23)=N1.
What is the InChIKey of N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]thieno[3,2-c]pyridin-4-amine?
The InChIKey is KZZDEYFQGWPIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3S/c14-13(15,16)10-2-1-3-11(18-10)19-12-8-5-7-20-9(8)4-6-17-12/h1,3-7,10H,2H2,(H,17,18,19).
What are the key properties of N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]thieno[3,2-c]pyridin-4-amine?
N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]thieno[3,2-c]pyridin-4-amine has a molecular weight of 297.31 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 163731556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).