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

C14H14N4O2S — CID 106474611

IUPAC3-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine
SMILESNC1CCOCC1c1nc(-c2cnc3ccsc3c2)no1
InChIInChI=1S/C14H14N4O2S/c15-10-1-3-19-7-9(10)14-17-13(18-20-14)8-5-12-11(16-6-8)2-4-21-12/h2,4-6,9-10H,1,3,7,15H2
InChIKeyVVRSQVRCZOKAKH-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.18
Rot. Bonds2

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

3-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine (PubChem CID 106474611) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine.

Molecular Properties

Compound Name3-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine
PubChem CID106474611
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name3-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine
SMILESNC1CCOCC1c1nc(-c2cnc3ccsc3c2)no1
InChIInChI=1S/C14H14N4O2S/c15-10-1-3-19-7-9(10)14-17-13(18-20-14)8-5-12-11(16-6-8)2-4-21-12/h2,4-6,9-10H,1,3,7,15H2
InChIKeyVVRSQVRCZOKAKH-UHFFFAOYSA-N
XLogP2.18
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine with MolForge

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Related Compounds

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474272
3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 106474360
cyclopropyl-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 81146654
(3R,5R)-5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104912463
5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 114351072
2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)-6λ6-thiaspiro[2.5]octane 6,6-dioxide
CID 139002474
5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one
CID 107436533
3-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474675
1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 81147332
5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 81147334
3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474381
1-cyclopropyl-N-methyl-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 81147622

Frequently Asked Questions

What is the IUPAC name of 3-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine?
The IUPAC name of 3-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine (CID 106474611) is 3-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine.
What is the SMILES notation for 3-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine?
The canonical SMILES for 3-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine is NC1CCOCC1c1nc(-c2cnc3ccsc3c2)no1.
What is the InChIKey of 3-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine?
The InChIKey is VVRSQVRCZOKAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c15-10-1-3-19-7-9(10)14-17-13(18-20-14)8-5-12-11(16-6-8)2-4-21-12/h2,4-6,9-10H,1,3,7,15H2.
What are the key properties of 3-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine?
3-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine has a molecular weight of 302.36 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine is sourced from PubChem (CID 106474611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).