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

C12H14N4O2S — CID 1467873

IUPACN,N-dimethyl-2-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCN(C)C(=O)CSc1nnc(Cc2ccccn2)o1
InChIInChI=1S/C12H14N4O2S/c1-16(2)11(17)8-19-12-15-14-10(18-12)7-9-5-3-4-6-13-9/h3-6H,7-8H2,1-2H3
InChIKeyBGJUWRYNJGVDLZ-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.24
Rot. Bonds5

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

N,N-dimethyl-2-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 1467873) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N,N-dimethyl-2-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID1467873
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN,N-dimethyl-2-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCN(C)C(=O)CSc1nnc(Cc2ccccn2)o1
InChIInChI=1S/C12H14N4O2S/c1-16(2)11(17)8-19-12-15-14-10(18-12)7-9-5-3-4-6-13-9/h3-6H,7-8H2,1-2H3
InChIKeyBGJUWRYNJGVDLZ-UHFFFAOYSA-N
XLogP1.24
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 1467873) is N,N-dimethyl-2-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CN(C)C(=O)CSc1nnc(Cc2ccccn2)o1.
What is the InChIKey of N,N-dimethyl-2-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is BGJUWRYNJGVDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-16(2)11(17)8-19-12-15-14-10(18-12)7-9-5-3-4-6-13-9/h3-6H,7-8H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N,N-dimethyl-2-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 278.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 1467873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).