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

C11H13N3O2S2 — CID 2592849

IUPACN-propyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCCCNC(=O)CSc1nnc(-c2cccs2)o1
InChIInChI=1S/C11H13N3O2S2/c1-2-5-12-9(15)7-18-11-14-13-10(16-11)8-4-3-6-17-8/h3-4,6H,2,5,7H2,1H3,(H,12,15)
InChIKeyJWGTZDQFDWUDJS-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.42
Rot. Bonds6

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

N-propyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 2592849) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-propyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-propyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID2592849
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC NameN-propyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCCCNC(=O)CSc1nnc(-c2cccs2)o1
InChIInChI=1S/C11H13N3O2S2/c1-2-5-12-9(15)7-18-11-14-13-10(16-11)8-4-3-6-17-8/h3-4,6H,2,5,7H2,1H3,(H,12,15)
InChIKeyJWGTZDQFDWUDJS-UHFFFAOYSA-N
XLogP2.42
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-propyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 2592849) is N-propyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-propyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-propyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is CCCNC(=O)CSc1nnc(-c2cccs2)o1.
What is the InChIKey of N-propyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is JWGTZDQFDWUDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-2-5-12-9(15)7-18-11-14-13-10(16-11)8-4-3-6-17-8/h3-4,6H,2,5,7H2,1H3,(H,12,15).
What are the key properties of N-propyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-propyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 283.38 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2592849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).