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

C6H10ClN4O2S- — CID 53351358

IUPAC2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide chloride
SMILESC[C@H](N)c1nnc(SCC(N)=O)o1.[Cl-]
InChIInChI=1S/C6H10N4O2S.ClH/c1-3(7)5-9-10-6(12-5)13-2-4(8)11;/h3H,2,7H2,1H3,(H2,8,11);1H/p-1/t3-;/m0./s1
InChIKeyFBGGBALLRSIRQT-DFWYDOINSA-M
MW237.69 g/mol
LogP-3.33
Rot. Bonds4

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

2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide chloride (PubChem CID 53351358) has the molecular formula C6H10ClN4O2S- and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide chloride.

Molecular Properties

Compound Name2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide chloride
PubChem CID53351358
Molecular FormulaC6H10ClN4O2S-
Molecular Weight237.69 g/mol
Exact Mass237.02
IUPAC Name2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide chloride
SMILESC[C@H](N)c1nnc(SCC(N)=O)o1.[Cl-]
InChIInChI=1S/C6H10N4O2S.ClH/c1-3(7)5-9-10-6(12-5)13-2-4(8)11;/h3H,2,7H2,1H3,(H2,8,11);1H/p-1/t3-;/m0./s1
InChIKeyFBGGBALLRSIRQT-DFWYDOINSA-M
XLogP-3.33
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 5-3.33
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 chloride?
The IUPAC name of 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide chloride (CID 53351358) is 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide chloride.
What is the SMILES notation for 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide chloride?
The canonical SMILES for 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide chloride is C[C@H](N)c1nnc(SCC(N)=O)o1.[Cl-].
What is the InChIKey of 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide chloride?
The InChIKey is FBGGBALLRSIRQT-DFWYDOINSA-M. The full InChI is InChI=1S/C6H10N4O2S.ClH/c1-3(7)5-9-10-6(12-5)13-2-4(8)11;/h3H,2,7H2,1H3,(H2,8,11);1H/p-1/t3-;/m0./s1.
What are the key properties of 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide chloride?
2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide chloride has a molecular weight of 237.69 g/mol, XLogP of -3.33, 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 chloride is sourced from PubChem (CID 53351358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).