2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C11H13N5O2S2 — CID 3167546

IUPAC2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1cc(C)nc(SCc2nnc(SCC(N)=O)o2)n1
InChIInChI=1S/C11H13N5O2S2/c1-6-3-7(2)14-10(13-6)19-5-9-15-16-11(18-9)20-4-8(12)17/h3H,4-5H2,1-2H3,(H2,12,17)
InChIKeyMYQSIBSMLHCBPN-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.35
Rot. Bonds6

About 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 3167546) has the molecular formula C11H13N5O2S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID3167546
Molecular FormulaC11H13N5O2S2
Molecular Weight311.39 g/mol
Exact Mass311.05
IUPAC Name2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1cc(C)nc(SCc2nnc(SCC(N)=O)o2)n1
InChIInChI=1S/C11H13N5O2S2/c1-6-3-7(2)14-10(13-6)19-5-9-15-16-11(18-9)20-4-8(12)17/h3H,4-5H2,1-2H3,(H2,12,17)
InChIKeyMYQSIBSMLHCBPN-UHFFFAOYSA-N
XLogP1.35
TPSA107.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 3167546) is 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1cc(C)nc(SCc2nnc(SCC(N)=O)o2)n1.
What is the InChIKey of 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is MYQSIBSMLHCBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S2/c1-6-3-7(2)14-10(13-6)19-5-9-15-16-11(18-9)20-4-8(12)17/h3H,4-5H2,1-2H3,(H2,12,17).
What are the key properties of 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 311.39 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 3167546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).