N-(3-methylsulfanylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide

C15H13N3O2S2 — CID 52906367

IUPACN-(3-methylsulfanylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCSc1cccc(NC(=O)Cc2nnc(-c3ccsc3)o2)c1
InChIInChI=1S/C15H13N3O2S2/c1-21-12-4-2-3-11(7-12)16-13(19)8-14-17-18-15(20-14)10-5-6-22-9-10/h2-7,9H,8H2,1H3,(H,16,19)
InChIKeyNXXYELBSEIEEAD-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.70
Rot. Bonds5

About N-(3-methylsulfanylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide

N-(3-methylsulfanylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 52906367) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID52906367
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC NameN-(3-methylsulfanylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCSc1cccc(NC(=O)Cc2nnc(-c3ccsc3)o2)c1
InChIInChI=1S/C15H13N3O2S2/c1-21-12-4-2-3-11(7-12)16-13(19)8-14-17-18-15(20-14)10-5-6-22-9-10/h2-7,9H,8H2,1H3,(H,16,19)
InChIKeyNXXYELBSEIEEAD-UHFFFAOYSA-N
XLogP3.70
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 52906367) is N-(3-methylsulfanylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide is CSc1cccc(NC(=O)Cc2nnc(-c3ccsc3)o2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is NXXYELBSEIEEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c1-21-12-4-2-3-11(7-12)16-13(19)8-14-17-18-15(20-14)10-5-6-22-9-10/h2-7,9H,8H2,1H3,(H,16,19).
What are the key properties of N-(3-methylsulfanylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide?
N-(3-methylsulfanylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 331.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 52906367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).