3-pyrimidin-4-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole

C13H11N5OS — CID 115528900

IUPAC3-pyrimidin-4-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
SMILESc1cc(-c2noc(C3NCCc4sccc43)n2)ncn1
InChIInChI=1S/C13H11N5OS/c1-4-14-7-16-9(1)12-17-13(19-18-12)11-8-3-6-20-10(8)2-5-15-11/h1,3-4,6-7,11,15H,2,5H2
InChIKeyDJWKKMQUKAPDRK-UHFFFAOYSA-N
MW285.33 g/mol
LogP1.82
Rot. Bonds2

About 3-pyrimidin-4-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole

3-pyrimidin-4-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole (PubChem CID 115528900) has the molecular formula C13H11N5OS and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-pyrimidin-4-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyrimidin-4-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
PubChem CID115528900
Molecular FormulaC13H11N5OS
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC Name3-pyrimidin-4-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
SMILESc1cc(-c2noc(C3NCCc4sccc43)n2)ncn1
InChIInChI=1S/C13H11N5OS/c1-4-14-7-16-9(1)12-17-13(19-18-12)11-8-3-6-20-10(8)2-5-15-11/h1,3-4,6-7,11,15H,2,5H2
InChIKeyDJWKKMQUKAPDRK-UHFFFAOYSA-N
XLogP1.82
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-pyrimidin-4-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-pyrimidin-4-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900783
5-piperidin-2-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole
CID 115528630
5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112632061
5-piperidin-4-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole
CID 115528821
(3R,5S)-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911446
3-piperidin-1-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
CID 116807334
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyrimidin-4-yl-1,2,4-oxadiazole
CID 102894787
5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one
CID 107436572
4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 113329133
(1S,6R)-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid
CID 104963091
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-pyrimidin-4-yl-1,2,4-oxadiazole
CID 104899276
N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 83192862

Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-4-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-pyrimidin-4-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole (CID 115528900) is 3-pyrimidin-4-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyrimidin-4-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-pyrimidin-4-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole is c1cc(-c2noc(C3NCCc4sccc43)n2)ncn1.
What is the InChIKey of 3-pyrimidin-4-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole?
The InChIKey is DJWKKMQUKAPDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS/c1-4-14-7-16-9(1)12-17-13(19-18-12)11-8-3-6-20-10(8)2-5-15-11/h1,3-4,6-7,11,15H,2,5H2.
What are the key properties of 3-pyrimidin-4-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole?
3-pyrimidin-4-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole has a molecular weight of 285.33 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-4-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 115528900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).