2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C14H9N5O3S3 — CID 2816975

IUPAC2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CSc1nnc(-c2ccco2)o1)Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C14H9N5O3S3/c20-10(15-13-18-17-12(25-13)9-4-2-6-23-9)7-24-14-19-16-11(22-14)8-3-1-5-21-8/h1-6H,7H2,(H,15,18,20)
InChIKeyHXLKGBDPMNYWIN-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.64
Rot. Bonds6

About 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2816975) has the molecular formula C14H9N5O3S3 and a molecular weight of 391.46 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2816975
Molecular FormulaC14H9N5O3S3
Molecular Weight391.46 g/mol
Exact Mass390.99
IUPAC Name2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CSc1nnc(-c2ccco2)o1)Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C14H9N5O3S3/c20-10(15-13-18-17-12(25-13)9-4-2-6-23-9)7-24-14-19-16-11(22-14)8-3-1-5-21-8/h1-6H,7H2,(H,15,18,20)
InChIKeyHXLKGBDPMNYWIN-UHFFFAOYSA-N
XLogP3.64
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 2816975) is 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide is O=C(CSc1nnc(-c2ccco2)o1)Nc1nnc(-c2cccs2)s1.
What is the InChIKey of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is HXLKGBDPMNYWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O3S3/c20-10(15-13-18-17-12(25-13)9-4-2-6-23-9)7-24-14-19-16-11(22-14)8-3-1-5-21-8/h1-6H,7H2,(H,15,18,20).
What are the key properties of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 391.46 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2816975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).