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

C13H11N3O2S3 — CID 859902

IUPACN-(thiophen-2-ylmethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccs2)o1)NCc1cccs1
InChIInChI=1S/C13H11N3O2S3/c17-11(14-7-9-3-1-5-19-9)8-21-13-16-15-12(18-13)10-4-2-6-20-10/h1-6H,7-8H2,(H,14,17)
InChIKeyIWKBEVNVDREHSR-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.27
Rot. Bonds6

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

N-(thiophen-2-ylmethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 859902) has the molecular formula C13H11N3O2S3 and a molecular weight of 337.45 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID859902
Molecular FormulaC13H11N3O2S3
Molecular Weight337.45 g/mol
Exact Mass337.00
IUPAC NameN-(thiophen-2-ylmethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccs2)o1)NCc1cccs1
InChIInChI=1S/C13H11N3O2S3/c17-11(14-7-9-3-1-5-19-9)8-21-13-16-15-12(18-13)10-4-2-6-20-10/h1-6H,7-8H2,(H,14,17)
InChIKeyIWKBEVNVDREHSR-UHFFFAOYSA-N
XLogP3.27
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 859902) is N-(thiophen-2-ylmethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2cccs2)o1)NCc1cccs1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is IWKBEVNVDREHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S3/c17-11(14-7-9-3-1-5-19-9)8-21-13-16-15-12(18-13)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)sulfanyl]acetamide?
N-(thiophen-2-ylmethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 337.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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)sulfanyl]acetamide is sourced from PubChem (CID 859902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).