[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

C9H13N3O2S — CID 164641692

IUPAC[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CC[C@H](O)[C@@H]1C
InChIInChI=1S/C9H13N3O2S/c1-5-8(15-11-10-5)9(14)12-4-3-7(13)6(12)2/h6-7,13H,3-4H2,1-2H3/t6-,7-/m0/s1
InChIKeyFWUHYVNBNBHEPH-BQBZGAKWSA-N
MW227.29 g/mol
LogP0.44
Rot. Bonds1

About [(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 164641692) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is [(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID164641692
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CC[C@H](O)[C@@H]1C
InChIInChI=1S/C9H13N3O2S/c1-5-8(15-11-10-5)9(14)12-4-3-7(13)6(12)2/h6-7,13H,3-4H2,1-2H3/t6-,7-/m0/s1
InChIKeyFWUHYVNBNBHEPH-BQBZGAKWSA-N
XLogP0.44
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 164641692) is [(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CC[C@H](O)[C@@H]1C.
What is the InChIKey of [(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is FWUHYVNBNBHEPH-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-5-8(15-11-10-5)9(14)12-4-3-7(13)6(12)2/h6-7,13H,3-4H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of [(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 227.29 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 164641692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).