2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C10H11N3O2S2 — CID 5068268

IUPAC2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CSCc2ccco2)s1
InChIInChI=1S/C10H11N3O2S2/c1-7-12-13-10(17-7)11-9(14)6-16-5-8-3-2-4-15-8/h2-4H,5-6H2,1H3,(H,11,13,14)
InChIKeyUMBOPEOGRZVWQE-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.31
Rot. Bonds5

About 2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 5068268) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID5068268
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC Name2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CSCc2ccco2)s1
InChIInChI=1S/C10H11N3O2S2/c1-7-12-13-10(17-7)11-9(14)6-16-5-8-3-2-4-15-8/h2-4H,5-6H2,1H3,(H,11,13,14)
InChIKeyUMBOPEOGRZVWQE-UHFFFAOYSA-N
XLogP2.31
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 5068268) is 2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)CSCc2ccco2)s1.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is UMBOPEOGRZVWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c1-7-12-13-10(17-7)11-9(14)6-16-5-8-3-2-4-15-8/h2-4H,5-6H2,1H3,(H,11,13,14).
What are the key properties of 2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 269.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 5068268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).