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

C19H12N4O2S2 — CID 7888433

IUPAC2-(furan-2-yl)-5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cc3c(SCc4nnc(-c5ccco5)o4)ncnc3s2)cc1
InChIInChI=1S/C19H12N4O2S2/c1-2-5-12(6-3-1)15-9-13-18(20-11-21-19(13)27-15)26-10-16-22-23-17(25-16)14-7-4-8-24-14/h1-9,11H,10H2
InChIKeyBTJYWGRCMWTNHS-UHFFFAOYSA-N
MW392.47 g/mol
LogP5.29
Rot. Bonds5

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

2-(furan-2-yl)-5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 7888433) has the molecular formula C19H12N4O2S2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID7888433
Molecular FormulaC19H12N4O2S2
Molecular Weight392.47 g/mol
Exact Mass392.04
IUPAC Name2-(furan-2-yl)-5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cc3c(SCc4nnc(-c5ccco5)o4)ncnc3s2)cc1
InChIInChI=1S/C19H12N4O2S2/c1-2-5-12(6-3-1)15-9-13-18(20-11-21-19(13)27-15)26-10-16-22-23-17(25-16)14-7-4-8-24-14/h1-9,11H,10H2
InChIKeyBTJYWGRCMWTNHS-UHFFFAOYSA-N
XLogP5.29
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.47
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-(furan-2-yl)-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 7889194
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 7887121
4-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine
CID 7674132
4-[(3-fluorophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine
CID 16541507
4-[(3-bromophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine
CID 28953931
6-phenyl-4-(1,3-thiazol-4-ylmethylsulfanyl)thieno[2,3-d]pyrimidine
CID 9437389
2-(furan-2-yl)-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 8569855
2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanethioamide
CID 39158958
2-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 31395575
5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine
CID 43301993
4-(1,3-benzothiazol-2-ylmethylsulfanyl)-6-phenylthieno[2,3-d]pyrimidine
CID 7906124
4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine
CID 7674140

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(furan-2-yl)-5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole (CID 7888433) is 2-(furan-2-yl)-5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(furan-2-yl)-5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(furan-2-yl)-5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole is c1ccc(-c2cc3c(SCc4nnc(-c5ccco5)o4)ncnc3s2)cc1.
What is the InChIKey of 2-(furan-2-yl)-5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is BTJYWGRCMWTNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O2S2/c1-2-5-12(6-3-1)15-9-13-18(20-11-21-19(13)27-15)26-10-16-22-23-17(25-16)14-7-4-8-24-14/h1-9,11H,10H2.
What are the key properties of 2-(furan-2-yl)-5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole?
2-(furan-2-yl)-5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 392.47 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 7888433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).