2-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole

C21H13FN4OS2 — CID 31395575

IUPAC2-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
SMILESFc1ccc(-c2cc3ncnc(SCc4nnc(-c5ccccc5)o4)c3s2)cc1
InChIInChI=1S/C21H13FN4OS2/c22-15-8-6-13(7-9-15)17-10-16-19(29-17)21(24-12-23-16)28-11-18-25-26-20(27-18)14-4-2-1-3-5-14/h1-10,12H,11H2
InChIKeyOZSNQKUVIFWSHH-UHFFFAOYSA-N
MW420.49 g/mol
LogP5.84
Rot. Bonds5

About 2-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole

2-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 31395575) has the molecular formula C21H13FN4OS2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID31395575
Molecular FormulaC21H13FN4OS2
Molecular Weight420.49 g/mol
Exact Mass420.05
IUPAC Name2-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
SMILESFc1ccc(-c2cc3ncnc(SCc4nnc(-c5ccccc5)o4)c3s2)cc1
InChIInChI=1S/C21H13FN4OS2/c22-15-8-6-13(7-9-15)17-10-16-19(29-17)21(24-12-23-16)28-11-18-25-26-20(27-18)14-4-2-1-3-5-14/h1-10,12H,11H2
InChIKeyOZSNQKUVIFWSHH-UHFFFAOYSA-N
XLogP5.84
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.49
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole with MolForge

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Related Compounds

6-(4-fluorophenyl)-4-(3-phenoxypropylsulfanyl)thieno[3,2-d]pyrimidine
CID 7630827
6-(4-fluorophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)thieno[3,2-d]pyrimidine
CID 7251237
N-benzyl-5-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide
CID 35424416
2-(4-fluorophenyl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole
CID 9333785
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 46693046
2-(furan-2-yl)-5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 7888433
6-(4-fluorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfanyl]thieno[3,2-d]pyrimidine
CID 8642556
2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 17459369
3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]phenol
CID 104590388
3-(4-fluorophenyl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-thiadiazole-2-thione
CID 7528650
5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine
CID 43301756
(4-fluorophenyl)methyl-(6-phenylthieno[3,2-d]pyrimidin-4-yl)diazene
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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole (CID 31395575) is 2-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole is Fc1ccc(-c2cc3ncnc(SCc4nnc(-c5ccccc5)o4)c3s2)cc1.
What is the InChIKey of 2-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is OZSNQKUVIFWSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN4OS2/c22-15-8-6-13(7-9-15)17-10-16-19(29-17)21(24-12-23-16)28-11-18-25-26-20(27-18)14-4-2-1-3-5-14/h1-10,12H,11H2.
What are the key properties of 2-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
2-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 420.49 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 31395575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).