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

C11H11N3O2S2 — CID 2540332

IUPACN-prop-2-enyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESC=CCNC(=O)CSc1nnc(-c2cccs2)o1
InChIInChI=1S/C11H11N3O2S2/c1-2-5-12-9(15)7-18-11-14-13-10(16-11)8-4-3-6-17-8/h2-4,6H,1,5,7H2,(H,12,15)
InChIKeyGXEMAEDTXXVRPD-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.19
Rot. Bonds6

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

N-prop-2-enyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 2540332) has the molecular formula C11H11N3O2S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-prop-2-enyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID2540332
Molecular FormulaC11H11N3O2S2
Molecular Weight281.36 g/mol
Exact Mass281.03
IUPAC NameN-prop-2-enyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESC=CCNC(=O)CSc1nnc(-c2cccs2)o1
InChIInChI=1S/C11H11N3O2S2/c1-2-5-12-9(15)7-18-11-14-13-10(16-11)8-4-3-6-17-8/h2-4,6H,1,5,7H2,(H,12,15)
InChIKeyGXEMAEDTXXVRPD-UHFFFAOYSA-N
XLogP2.19
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-prop-2-enyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 2540332) is N-prop-2-enyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-prop-2-enyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-prop-2-enyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is C=CCNC(=O)CSc1nnc(-c2cccs2)o1.
What is the InChIKey of N-prop-2-enyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is GXEMAEDTXXVRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S2/c1-2-5-12-9(15)7-18-11-14-13-10(16-11)8-4-3-6-17-8/h2-4,6H,1,5,7H2,(H,12,15).
What are the key properties of N-prop-2-enyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-prop-2-enyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 281.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2540332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).