1-[5-[[(2S)-oxolan-2-yl]methylamino]-1,2,4-thiadiazol-3-yl]propan-2-one

C10H15N3O2S — CID 1132706

IUPAC1-[5-[[(2S)-oxolan-2-yl]methylamino]-1,2,4-thiadiazol-3-yl]propan-2-one
SMILESCC(=O)Cc1nsc(NC[C@@H]2CCCO2)n1
InChIInChI=1S/C10H15N3O2S/c1-7(14)5-9-12-10(16-13-9)11-6-8-3-2-4-15-8/h8H,2-6H2,1H3,(H,11,12,13)/t8-/m0/s1
InChIKeyAALXXOYRYYZYEY-QMMMGPOBSA-N
MW241.32 g/mol
LogP1.26
Rot. Bonds5

About 1-[5-[[(2S)-oxolan-2-yl]methylamino]-1,2,4-thiadiazol-3-yl]propan-2-one

1-[5-[[(2S)-oxolan-2-yl]methylamino]-1,2,4-thiadiazol-3-yl]propan-2-one (PubChem CID 1132706) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-[5-[[(2S)-oxolan-2-yl]methylamino]-1,2,4-thiadiazol-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-[[(2S)-oxolan-2-yl]methylamino]-1,2,4-thiadiazol-3-yl]propan-2-one
PubChem CID1132706
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name1-[5-[[(2S)-oxolan-2-yl]methylamino]-1,2,4-thiadiazol-3-yl]propan-2-one
SMILESCC(=O)Cc1nsc(NC[C@@H]2CCCO2)n1
InChIInChI=1S/C10H15N3O2S/c1-7(14)5-9-12-10(16-13-9)11-6-8-3-2-4-15-8/h8H,2-6H2,1H3,(H,11,12,13)/t8-/m0/s1
InChIKeyAALXXOYRYYZYEY-QMMMGPOBSA-N
XLogP1.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[(2S)-oxolan-2-yl]methylamino]-1,2,4-thiadiazol-3-yl]propan-2-one?
The IUPAC name of 1-[5-[[(2S)-oxolan-2-yl]methylamino]-1,2,4-thiadiazol-3-yl]propan-2-one (CID 1132706) is 1-[5-[[(2S)-oxolan-2-yl]methylamino]-1,2,4-thiadiazol-3-yl]propan-2-one.
What is the SMILES notation for 1-[5-[[(2S)-oxolan-2-yl]methylamino]-1,2,4-thiadiazol-3-yl]propan-2-one?
The canonical SMILES for 1-[5-[[(2S)-oxolan-2-yl]methylamino]-1,2,4-thiadiazol-3-yl]propan-2-one is CC(=O)Cc1nsc(NC[C@@H]2CCCO2)n1.
What is the InChIKey of 1-[5-[[(2S)-oxolan-2-yl]methylamino]-1,2,4-thiadiazol-3-yl]propan-2-one?
The InChIKey is AALXXOYRYYZYEY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-7(14)5-9-12-10(16-13-9)11-6-8-3-2-4-15-8/h8H,2-6H2,1H3,(H,11,12,13)/t8-/m0/s1.
What are the key properties of 1-[5-[[(2S)-oxolan-2-yl]methylamino]-1,2,4-thiadiazol-3-yl]propan-2-one?
1-[5-[[(2S)-oxolan-2-yl]methylamino]-1,2,4-thiadiazol-3-yl]propan-2-one has a molecular weight of 241.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[(2S)-oxolan-2-yl]methylamino]-1,2,4-thiadiazol-3-yl]propan-2-one is sourced from PubChem (CID 1132706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).