4-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

C12H14N4OS — CID 80619993

IUPAC4-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1cc(-c2nc(C3CCCCS3)no2)ccn1
InChIInChI=1S/C12H14N4OS/c13-10-7-8(4-5-14-10)12-15-11(16-17-12)9-3-1-2-6-18-9/h4-5,7,9H,1-3,6H2,(H2,13,14)
InChIKeyHBUOPTSVLCCALZ-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.67
Rot. Bonds2

About 4-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

4-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 80619993) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 4-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID80619993
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name4-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1cc(-c2nc(C3CCCCS3)no2)ccn1
InChIInChI=1S/C12H14N4OS/c13-10-7-8(4-5-14-10)12-15-11(16-17-12)9-3-1-2-6-18-9/h4-5,7,9H,1-3,6H2,(H2,13,14)
InChIKeyHBUOPTSVLCCALZ-UHFFFAOYSA-N
XLogP2.67
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of 4-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 80619993) is 4-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is Nc1cc(-c2nc(C3CCCCS3)no2)ccn1.
What is the InChIKey of 4-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is HBUOPTSVLCCALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c13-10-7-8(4-5-14-10)12-15-11(16-17-12)9-3-1-2-6-18-9/h4-5,7,9H,1-3,6H2,(H2,13,14).
What are the key properties of 4-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
4-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 262.34 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 80619993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).