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

C14H11N5O2S2 — CID 73054740

IUPAC2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
SMILESO=C(CSc1nnc(-c2ccncc2)o1)N/N=C/c1cccs1
InChIInChI=1S/C14H11N5O2S2/c20-12(17-16-8-11-2-1-7-22-11)9-23-14-19-18-13(21-14)10-3-5-15-6-4-10/h1-8H,9H2,(H,17,20)/b16-8+
InChIKeyWQGFFRGOTNDGLK-LZYBPNLTSA-N
MW345.41 g/mol
LogP2.44
Rot. Bonds6

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

2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide (PubChem CID 73054740) has the molecular formula C14H11N5O2S2 and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
PubChem CID73054740
Molecular FormulaC14H11N5O2S2
Molecular Weight345.41 g/mol
Exact Mass345.04
IUPAC Name2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
SMILESO=C(CSc1nnc(-c2ccncc2)o1)N/N=C/c1cccs1
InChIInChI=1S/C14H11N5O2S2/c20-12(17-16-8-11-2-1-7-22-11)9-23-14-19-18-13(21-14)10-3-5-15-6-4-10/h1-8H,9H2,(H,17,20)/b16-8+
InChIKeyWQGFFRGOTNDGLK-LZYBPNLTSA-N
XLogP2.44
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide (CID 73054740) is 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is O=C(CSc1nnc(-c2ccncc2)o1)N/N=C/c1cccs1.
What is the InChIKey of 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The InChIKey is WQGFFRGOTNDGLK-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H11N5O2S2/c20-12(17-16-8-11-2-1-7-22-11)9-23-14-19-18-13(21-14)10-3-5-15-6-4-10/h1-8H,9H2,(H,17,20)/b16-8+.
What are the key properties of 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide has a molecular weight of 345.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 73054740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).