N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide

C11H12N4O2S — CID 77082395

IUPACN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
SMILESCc1nnc(CNC(=O)CSc2ccncc2)o1
InChIInChI=1S/C11H12N4O2S/c1-8-14-15-11(17-8)6-13-10(16)7-18-9-2-4-12-5-3-9/h2-5H,6-7H2,1H3,(H,13,16)
InChIKeyLYXPSTQKIYUWNU-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.18
Rot. Bonds5

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

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide (PubChem CID 77082395) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
PubChem CID77082395
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
SMILESCc1nnc(CNC(=O)CSc2ccncc2)o1
InChIInChI=1S/C11H12N4O2S/c1-8-14-15-11(17-8)6-13-10(16)7-18-9-2-4-12-5-3-9/h2-5H,6-7H2,1H3,(H,13,16)
InChIKeyLYXPSTQKIYUWNU-UHFFFAOYSA-N
XLogP1.18
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(phenylsulfonyl)methyl]-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22520172
2-Methyl-5-(pyridin-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 45862374
2-Ethyl-5-(pyridin-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 53516352
2-pyridin-4-ylsulfanyl-N-(2-pyrrol-1-ylethyl)acetamide
CID 71980035
5-(benzenesulfonylmethyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22432052
2-Ethyl-5-(1-pyridin-4-ylsulfanylethyl)-1,3,4-oxadiazole
CID 71858556
2-Methyl-5-(2-pyridin-2-ylsulfanylethyl)-1,3,4-oxadiazole
CID 167103057
N-[[5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 1467841
5-[(Benzenesulfonyl)methyl]-N-[(pyridin-3-YL)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22432079
N-[2-(dimethylamino)-2-oxoethyl]-2-(pyridin-4-ylthio)acetamide
CID 31785206
4-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine
CID 43299488
4-[(5-Methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine
CID 43300068

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide (CID 77082395) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide is Cc1nnc(CNC(=O)CSc2ccncc2)o1.
What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is LYXPSTQKIYUWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-8-14-15-11(17-8)6-13-10(16)7-18-9-2-4-12-5-3-9/h2-5H,6-7H2,1H3,(H,13,16).
What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide?
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 264.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 77082395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).