3-(furan-2-yl)-5-[(1S)-1-thieno[2,3-d]pyrimidin-4-ylsulfanylethyl]-1,2,4-oxadiazole

C14H10N4O2S2 — CID 36981909

IUPAC3-(furan-2-yl)-5-[(1S)-1-thieno[2,3-d]pyrimidin-4-ylsulfanylethyl]-1,2,4-oxadiazole
SMILESC[C@H](Sc1ncnc2sccc12)c1nc(-c2ccco2)no1
InChIInChI=1S/C14H10N4O2S2/c1-8(12-17-11(18-20-12)10-3-2-5-19-10)22-14-9-4-6-21-13(9)15-7-16-14/h2-8H,1H3/t8-/m0/s1
InChIKeyWZKOUHMYYNZULT-QMMMGPOBSA-N
MW330.39 g/mol
LogP4.19
Rot. Bonds4

About 3-(furan-2-yl)-5-[(1S)-1-thieno[2,3-d]pyrimidin-4-ylsulfanylethyl]-1,2,4-oxadiazole

3-(furan-2-yl)-5-[(1S)-1-thieno[2,3-d]pyrimidin-4-ylsulfanylethyl]-1,2,4-oxadiazole (PubChem CID 36981909) has the molecular formula C14H10N4O2S2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-[(1S)-1-thieno[2,3-d]pyrimidin-4-ylsulfanylethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(furan-2-yl)-5-[(1S)-1-thieno[2,3-d]pyrimidin-4-ylsulfanylethyl]-1,2,4-oxadiazole
PubChem CID36981909
Molecular FormulaC14H10N4O2S2
Molecular Weight330.39 g/mol
Exact Mass330.02
IUPAC Name3-(furan-2-yl)-5-[(1S)-1-thieno[2,3-d]pyrimidin-4-ylsulfanylethyl]-1,2,4-oxadiazole
SMILESC[C@H](Sc1ncnc2sccc12)c1nc(-c2ccco2)no1
InChIInChI=1S/C14H10N4O2S2/c1-8(12-17-11(18-20-12)10-3-2-5-19-10)22-14-9-4-6-21-13(9)15-7-16-14/h2-8H,1H3/t8-/m0/s1
InChIKeyWZKOUHMYYNZULT-QMMMGPOBSA-N
XLogP4.19
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 42955614
2-(furan-2-yl)-5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-oxadiazole
CID 42886296
N-ethyl-5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 42955623
N-ethyl-5-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 36983445
5-[(1R)-1-(1-tert-butyltetrazol-5-yl)sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 36983477
4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine
CID 17421443
5-[(1S)-1-(1-ethyltetrazol-5-yl)sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 36983533
5-[1-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 43062150
4-amino-3-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-6-methyl-1,2,4-triazin-5-one
CID 43062139
(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 94549401
2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62716801
(2S)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanenitrile
CID 7889352

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-[(1S)-1-thieno[2,3-d]pyrimidin-4-ylsulfanylethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(furan-2-yl)-5-[(1S)-1-thieno[2,3-d]pyrimidin-4-ylsulfanylethyl]-1,2,4-oxadiazole (CID 36981909) is 3-(furan-2-yl)-5-[(1S)-1-thieno[2,3-d]pyrimidin-4-ylsulfanylethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(furan-2-yl)-5-[(1S)-1-thieno[2,3-d]pyrimidin-4-ylsulfanylethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(furan-2-yl)-5-[(1S)-1-thieno[2,3-d]pyrimidin-4-ylsulfanylethyl]-1,2,4-oxadiazole is C[C@H](Sc1ncnc2sccc12)c1nc(-c2ccco2)no1.
What is the InChIKey of 3-(furan-2-yl)-5-[(1S)-1-thieno[2,3-d]pyrimidin-4-ylsulfanylethyl]-1,2,4-oxadiazole?
The InChIKey is WZKOUHMYYNZULT-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H10N4O2S2/c1-8(12-17-11(18-20-12)10-3-2-5-19-10)22-14-9-4-6-21-13(9)15-7-16-14/h2-8H,1H3/t8-/m0/s1.
What are the key properties of 3-(furan-2-yl)-5-[(1S)-1-thieno[2,3-d]pyrimidin-4-ylsulfanylethyl]-1,2,4-oxadiazole?
3-(furan-2-yl)-5-[(1S)-1-thieno[2,3-d]pyrimidin-4-ylsulfanylethyl]-1,2,4-oxadiazole has a molecular weight of 330.39 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-[(1S)-1-thieno[2,3-d]pyrimidin-4-ylsulfanylethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 36981909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).