2-[5-(2,3-dihydrothiophen-5-yl)-1,2,4-oxadiazol-3-yl]-4,5,6-trimethylthieno[2,3-b]pyridin-3-amine

C16H16N4OS2 — CID 143185659

IUPAC2-[5-(2,3-dihydrothiophen-5-yl)-1,2,4-oxadiazol-3-yl]-4,5,6-trimethylthieno[2,3-b]pyridin-3-amine
SMILESCc1nc2sc(-c3noc(C4=CCCS4)n3)c(N)c2c(C)c1C
InChIInChI=1S/C16H16N4OS2/c1-7-8(2)11-12(17)13(23-16(11)18-9(7)3)14-19-15(21-20-14)10-5-4-6-22-10/h5H,4,6,17H2,1-3H3
InChIKeyMZSZQORABUDISZ-UHFFFAOYSA-N
MW344.47 g/mol
LogP4.33
Rot. Bonds2

About 2-[5-(2,3-dihydrothiophen-5-yl)-1,2,4-oxadiazol-3-yl]-4,5,6-trimethylthieno[2,3-b]pyridin-3-amine

2-[5-(2,3-dihydrothiophen-5-yl)-1,2,4-oxadiazol-3-yl]-4,5,6-trimethylthieno[2,3-b]pyridin-3-amine (PubChem CID 143185659) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is 2-[5-(2,3-dihydrothiophen-5-yl)-1,2,4-oxadiazol-3-yl]-4,5,6-trimethylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-[5-(2,3-dihydrothiophen-5-yl)-1,2,4-oxadiazol-3-yl]-4,5,6-trimethylthieno[2,3-b]pyridin-3-amine
PubChem CID143185659
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC Name2-[5-(2,3-dihydrothiophen-5-yl)-1,2,4-oxadiazol-3-yl]-4,5,6-trimethylthieno[2,3-b]pyridin-3-amine
SMILESCc1nc2sc(-c3noc(C4=CCCS4)n3)c(N)c2c(C)c1C
InChIInChI=1S/C16H16N4OS2/c1-7-8(2)11-12(17)13(23-16(11)18-9(7)3)14-19-15(21-20-14)10-5-4-6-22-10/h5H,4,6,17H2,1-3H3
InChIKeyMZSZQORABUDISZ-UHFFFAOYSA-N
XLogP4.33
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dihydrothiophen-5-yl)-1,2,4-oxadiazol-3-yl]-4,5,6-trimethylthieno[2,3-b]pyridin-3-amine?
The IUPAC name of 2-[5-(2,3-dihydrothiophen-5-yl)-1,2,4-oxadiazol-3-yl]-4,5,6-trimethylthieno[2,3-b]pyridin-3-amine (CID 143185659) is 2-[5-(2,3-dihydrothiophen-5-yl)-1,2,4-oxadiazol-3-yl]-4,5,6-trimethylthieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-[5-(2,3-dihydrothiophen-5-yl)-1,2,4-oxadiazol-3-yl]-4,5,6-trimethylthieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-[5-(2,3-dihydrothiophen-5-yl)-1,2,4-oxadiazol-3-yl]-4,5,6-trimethylthieno[2,3-b]pyridin-3-amine is Cc1nc2sc(-c3noc(C4=CCCS4)n3)c(N)c2c(C)c1C.
What is the InChIKey of 2-[5-(2,3-dihydrothiophen-5-yl)-1,2,4-oxadiazol-3-yl]-4,5,6-trimethylthieno[2,3-b]pyridin-3-amine?
The InChIKey is MZSZQORABUDISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS2/c1-7-8(2)11-12(17)13(23-16(11)18-9(7)3)14-19-15(21-20-14)10-5-4-6-22-10/h5H,4,6,17H2,1-3H3.
What are the key properties of 2-[5-(2,3-dihydrothiophen-5-yl)-1,2,4-oxadiazol-3-yl]-4,5,6-trimethylthieno[2,3-b]pyridin-3-amine?
2-[5-(2,3-dihydrothiophen-5-yl)-1,2,4-oxadiazol-3-yl]-4,5,6-trimethylthieno[2,3-b]pyridin-3-amine has a molecular weight of 344.47 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dihydrothiophen-5-yl)-1,2,4-oxadiazol-3-yl]-4,5,6-trimethylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 143185659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).