2-(furan-2-yl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole

C14H9N3O2S3 — CID 17401686

IUPAC2-(furan-2-yl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESc1coc(-c2nnc(SCc3csc(-c4cccs4)n3)o2)c1
InChIInChI=1S/C14H9N3O2S3/c1-3-10(18-5-1)12-16-17-14(19-12)22-8-9-7-21-13(15-9)11-4-2-6-20-11/h1-7H,8H2
InChIKeyOFAPRWMSWAFBBH-UHFFFAOYSA-N
MW347.45 g/mol
LogP4.81
Rot. Bonds5

About 2-(furan-2-yl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole

2-(furan-2-yl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 17401686) has the molecular formula C14H9N3O2S3 and a molecular weight of 347.45 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID17401686
Molecular FormulaC14H9N3O2S3
Molecular Weight347.45 g/mol
Exact Mass346.99
IUPAC Name2-(furan-2-yl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESc1coc(-c2nnc(SCc3csc(-c4cccs4)n3)o2)c1
InChIInChI=1S/C14H9N3O2S3/c1-3-10(18-5-1)12-16-17-14(19-12)22-8-9-7-21-13(15-9)11-4-2-6-20-11/h1-7H,8H2
InChIKeyOFAPRWMSWAFBBH-UHFFFAOYSA-N
XLogP4.81
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(furan-2-yl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole (CID 17401686) is 2-(furan-2-yl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(furan-2-yl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(furan-2-yl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole is c1coc(-c2nnc(SCc3csc(-c4cccs4)n3)o2)c1.
What is the InChIKey of 2-(furan-2-yl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is OFAPRWMSWAFBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2S3/c1-3-10(18-5-1)12-16-17-14(19-12)22-8-9-7-21-13(15-9)11-4-2-6-20-11/h1-7H,8H2.
What are the key properties of 2-(furan-2-yl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole?
2-(furan-2-yl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 347.45 g/mol, XLogP of 4.81, 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-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 17401686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).