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

C14H11N5O2S — CID 974453

IUPACN-pyridin-2-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccn1
InChIInChI=1S/C14H11N5O2S/c20-12(17-11-5-1-2-7-16-11)9-22-14-19-18-13(21-14)10-4-3-6-15-8-10/h1-8H,9H2,(H,16,17,20)
InChIKeyAEKHNNIENKHATR-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.26
Rot. Bonds5

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

N-pyridin-2-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 974453) has the molecular formula C14H11N5O2S and a molecular weight of 313.34 g/mol. Its IUPAC name is N-pyridin-2-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-pyridin-2-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID974453
Molecular FormulaC14H11N5O2S
Molecular Weight313.34 g/mol
Exact Mass313.06
IUPAC NameN-pyridin-2-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccn1
InChIInChI=1S/C14H11N5O2S/c20-12(17-11-5-1-2-7-16-11)9-22-14-19-18-13(21-14)10-4-3-6-15-8-10/h1-8H,9H2,(H,16,17,20)
InChIKeyAEKHNNIENKHATR-UHFFFAOYSA-N
XLogP2.26
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-pyridin-2-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 974453) is N-pyridin-2-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-pyridin-2-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-pyridin-2-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccn1.
What is the InChIKey of N-pyridin-2-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is AEKHNNIENKHATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2S/c20-12(17-11-5-1-2-7-16-11)9-22-14-19-18-13(21-14)10-4-3-6-15-8-10/h1-8H,9H2,(H,16,17,20).
What are the key properties of N-pyridin-2-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-pyridin-2-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 313.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 974453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).