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

C12H14N4OS — CID 113447855

IUPAC2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESNc1cccnc1-c1nc(C2CCCCS2)no1
InChIInChI=1S/C12H14N4OS/c13-8-4-3-6-14-10(8)12-15-11(16-17-12)9-5-1-2-7-18-9/h3-4,6,9H,1-2,5,7,13H2
InChIKeyURRHMVWCQVCNQK-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.67
Rot. Bonds2

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

2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (PubChem CID 113447855) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
PubChem CID113447855
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESNc1cccnc1-c1nc(C2CCCCS2)no1
InChIInChI=1S/C12H14N4OS/c13-8-4-3-6-14-10(8)12-15-11(16-17-12)9-5-1-2-7-18-9/h3-4,6,9H,1-2,5,7,13H2
InChIKeyURRHMVWCQVCNQK-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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Related Compounds

4-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 80619993
2-chloro-4-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 80620097
5-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 80620090
2-methyl-5-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 80619996
4,5-difluoro-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 80621095
2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104743094
2-[2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 107273796
2-amino-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872316
5-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136964416
6-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 106526066
2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]-5-(trifluoromethyl)aniline
CID 80620336
3-chloro-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 80621088

Frequently Asked Questions

What is the IUPAC name of 2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The IUPAC name of 2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (CID 113447855) is 2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The canonical SMILES for 2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is Nc1cccnc1-c1nc(C2CCCCS2)no1.
What is the InChIKey of 2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The InChIKey is URRHMVWCQVCNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c13-8-4-3-6-14-10(8)12-15-11(16-17-12)9-5-1-2-7-18-9/h3-4,6,9H,1-2,5,7,13H2.
What are the key properties of 2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-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 2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 113447855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).