2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C6H10N4O2S — CID 1401237

IUPAC2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESC[C@H](N)c1nnc(SCC(N)=O)o1
InChIInChI=1S/C6H10N4O2S/c1-3(7)5-9-10-6(12-5)13-2-4(8)11/h3H,2,7H2,1H3,(H2,8,11)/t3-/m0/s1
InChIKeyYRXPZZBRPOIOBE-VKHMYHEASA-N
MW202.24 g/mol
LogP-0.33
Rot. Bonds4

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

2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 1401237) has the molecular formula C6H10N4O2S and a molecular weight of 202.24 g/mol. Its IUPAC name is 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID1401237
Molecular FormulaC6H10N4O2S
Molecular Weight202.24 g/mol
Exact Mass202.05
IUPAC Name2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESC[C@H](N)c1nnc(SCC(N)=O)o1
InChIInChI=1S/C6H10N4O2S/c1-3(7)5-9-10-6(12-5)13-2-4(8)11/h3H,2,7H2,1H3,(H2,8,11)/t3-/m0/s1
InChIKeyYRXPZZBRPOIOBE-VKHMYHEASA-N
XLogP-0.33
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 1401237) is 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is C[C@H](N)c1nnc(SCC(N)=O)o1.
What is the InChIKey of 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is YRXPZZBRPOIOBE-VKHMYHEASA-N. The full InChI is InChI=1S/C6H10N4O2S/c1-3(7)5-9-10-6(12-5)13-2-4(8)11/h3H,2,7H2,1H3,(H2,8,11)/t3-/m0/s1.
What are the key properties of 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 202.24 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 1401237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).