2-(4-fluorophenyl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole

C20H11FN4OS2 — CID 9333785

IUPAC2-(4-fluorophenyl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(Sc3ncnc4sc(-c5ccccc5)cc34)o2)cc1
InChIInChI=1S/C20H11FN4OS2/c21-14-8-6-13(7-9-14)17-24-25-20(26-17)28-19-15-10-16(12-4-2-1-3-5-12)27-18(15)22-11-23-19/h1-11H
InChIKeyYTAXDYPGHGVSFL-UHFFFAOYSA-N
MW406.47 g/mol
LogP5.70
Rot. Bonds4

About 2-(4-fluorophenyl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole

2-(4-fluorophenyl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole (PubChem CID 9333785) has the molecular formula C20H11FN4OS2 and a molecular weight of 406.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole
PubChem CID9333785
Molecular FormulaC20H11FN4OS2
Molecular Weight406.47 g/mol
Exact Mass406.04
IUPAC Name2-(4-fluorophenyl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(Sc3ncnc4sc(-c5ccccc5)cc34)o2)cc1
InChIInChI=1S/C20H11FN4OS2/c21-14-8-6-13(7-9-14)17-24-25-20(26-17)28-19-15-10-16(12-4-2-1-3-5-12)27-18(15)22-11-23-19/h1-11H
InChIKeyYTAXDYPGHGVSFL-UHFFFAOYSA-N
XLogP5.70
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.47
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-[(3-fluorophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine
CID 16541507
2-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 31395575
4-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine
CID 7674132
2-(furan-2-yl)-5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 7888433
2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanethioamide
CID 39158958
N-(4-fluorophenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44635739
N-[(4-fluorophenyl)methyl]-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 16541521
N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4882445
6-phenyl-4-(1,3-thiazol-4-ylmethylsulfanyl)thieno[2,3-d]pyrimidine
CID 9437389
2-(4-ethylphenyl)-5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazole
CID 17457537
4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine
CID 7674140
2-[bis(4-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 52527187

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole (CID 9333785) is 2-(4-fluorophenyl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole is Fc1ccc(-c2nnc(Sc3ncnc4sc(-c5ccccc5)cc34)o2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole?
The InChIKey is YTAXDYPGHGVSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11FN4OS2/c21-14-8-6-13(7-9-14)17-24-25-20(26-17)28-19-15-10-16(12-4-2-1-3-5-12)27-18(15)22-11-23-19/h1-11H.
What are the key properties of 2-(4-fluorophenyl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole?
2-(4-fluorophenyl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole has a molecular weight of 406.47 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 9333785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).