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

C13H11N3O2S2 — CID 53161971

IUPACN-(thiophen-2-ylmethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESO=C(Cc1nnc(-c2cccs2)o1)NCc1cccs1
InChIInChI=1S/C13H11N3O2S2/c17-11(14-8-9-3-1-5-19-9)7-12-15-16-13(18-12)10-4-2-6-20-10/h1-6H,7-8H2,(H,14,17)
InChIKeyHIYHEAFDUNPXBZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.72
Rot. Bonds5

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

N-(thiophen-2-ylmethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 53161971) has the molecular formula C13H11N3O2S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID53161971
Molecular FormulaC13H11N3O2S2
Molecular Weight305.38 g/mol
Exact Mass305.03
IUPAC NameN-(thiophen-2-ylmethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESO=C(Cc1nnc(-c2cccs2)o1)NCc1cccs1
InChIInChI=1S/C13H11N3O2S2/c17-11(14-8-9-3-1-5-19-9)7-12-15-16-13(18-12)10-4-2-6-20-10/h1-6H,7-8H2,(H,14,17)
InChIKeyHIYHEAFDUNPXBZ-UHFFFAOYSA-N
XLogP2.72
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methylphenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53161973
N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 110322424
N-[(4-chlorophenyl)methyl]-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335195
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanol
CID 43558918
N-cyclopropyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335163
1-phenyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110322316
2,6-dimethoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110322296
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 95100271
phenyl N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate
CID 110322337
4-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110322294
phenyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 110322484

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 53161971) is N-(thiophen-2-ylmethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide is O=C(Cc1nnc(-c2cccs2)o1)NCc1cccs1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is HIYHEAFDUNPXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S2/c17-11(14-8-9-3-1-5-19-9)7-12-15-16-13(18-12)10-4-2-6-20-10/h1-6H,7-8H2,(H,14,17).
What are the key properties of N-(thiophen-2-ylmethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
N-(thiophen-2-ylmethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 305.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 53161971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).