2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]sulfanylacetamide

C15H14N4O2S2 — CID 71859126

IUPAC2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NCc1noc(-c2ccsc2)n1
InChIInChI=1S/C15H14N4O2S2/c16-13(20)9-23-12-4-2-1-3-11(12)17-7-14-18-15(21-19-14)10-5-6-22-8-10/h1-6,8,17H,7,9H2,(H2,16,20)
InChIKeyUWZDHZJUCZCEDY-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.99
Rot. Bonds7

About 2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]sulfanylacetamide

2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]sulfanylacetamide (PubChem CID 71859126) has the molecular formula C15H14N4O2S2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]sulfanylacetamide
PubChem CID71859126
Molecular FormulaC15H14N4O2S2
Molecular Weight346.44 g/mol
Exact Mass346.06
IUPAC Name2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NCc1noc(-c2ccsc2)n1
InChIInChI=1S/C15H14N4O2S2/c16-13(20)9-23-12-4-2-1-3-11(12)17-7-14-18-15(21-19-14)10-5-6-22-8-10/h1-6,8,17H,7,9H2,(H2,16,20)
InChIKeyUWZDHZJUCZCEDY-UHFFFAOYSA-N
XLogP2.99
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]sulfanylacetamide (CID 71859126) is 2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]sulfanylacetamide is NC(=O)CSc1ccccc1NCc1noc(-c2ccsc2)n1.
What is the InChIKey of 2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]sulfanylacetamide?
The InChIKey is UWZDHZJUCZCEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S2/c16-13(20)9-23-12-4-2-1-3-11(12)17-7-14-18-15(21-19-14)10-5-6-22-8-10/h1-6,8,17H,7,9H2,(H2,16,20).
What are the key properties of 2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]sulfanylacetamide?
2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]sulfanylacetamide has a molecular weight of 346.44 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 71859126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).