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

C13H13N5O3S2 — CID 3147355

IUPAC2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CSc2nnc(-c3ccco3)o2)s1
InChIInChI=1S/C13H13N5O3S2/c1-7(2)11-16-17-12(23-11)14-9(19)6-22-13-18-15-10(21-13)8-4-3-5-20-8/h3-5,7H,6H2,1-2H3,(H,14,17,19)
InChIKeyOQKKLTBXSNTTGR-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.04
Rot. Bonds6

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

2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3147355) has the molecular formula C13H13N5O3S2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-propan-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-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3147355
Molecular FormulaC13H13N5O3S2
Molecular Weight351.41 g/mol
Exact Mass351.05
IUPAC Name2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CSc2nnc(-c3ccco3)o2)s1
InChIInChI=1S/C13H13N5O3S2/c1-7(2)11-16-17-12(23-11)14-9(19)6-22-13-18-15-10(21-13)8-4-3-5-20-8/h3-5,7H,6H2,1-2H3,(H,14,17,19)
InChIKeyOQKKLTBXSNTTGR-UHFFFAOYSA-N
XLogP3.04
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide with MolForge

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Related Compounds

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]pentanamide
CID 4062264
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 4245856
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
CID 872671
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 2534314
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 4536915
(E)-3-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 5770545
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 744054
N-(5-Furan-2-yl-[1,3,4]thiadiazol-2-yl)-butyramide
CID 646084
Cyclopropanecarboxylic acid (5-furan-2-yl-[1,3,4]thiadiazol-2-yl)-amide
CID 650232
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3147353
2-{[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3147356
N-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)-2-(phenylthio)acetamide
CID 7254732

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-propan-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-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 3147355) is 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-propan-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-propan-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-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)CSc2nnc(-c3ccco3)o2)s1.
What is the InChIKey of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is OQKKLTBXSNTTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3S2/c1-7(2)11-16-17-12(23-11)14-9(19)6-22-13-18-15-10(21-13)8-4-3-5-20-8/h3-5,7H,6H2,1-2H3,(H,14,17,19).
What are the key properties of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 351.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 9 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-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3147355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).