5-[(3R)-1-(2-hydroxypropanoyl)pyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one

C9H13N3O3S — CID 143651133

IUPAC5-[(3R)-1-(2-hydroxypropanoyl)pyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one
SMILESCC(O)C(=O)N1CC[C@@H](c2n[nH]c(=O)s2)C1
InChIInChI=1S/C9H13N3O3S/c1-5(13)8(14)12-3-2-6(4-12)7-10-11-9(15)16-7/h5-6,13H,2-4H2,1H3,(H,11,15)/t5?,6-/m1/s1
InChIKeyLYBYAQXHJPUHFS-PRJDIBJQSA-N
MW243.29 g/mol
LogP-0.47
Rot. Bonds2

About 5-[(3R)-1-(2-hydroxypropanoyl)pyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one

5-[(3R)-1-(2-hydroxypropanoyl)pyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one (PubChem CID 143651133) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 5-[(3R)-1-(2-hydroxypropanoyl)pyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one.

Molecular Properties

Compound Name5-[(3R)-1-(2-hydroxypropanoyl)pyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one
PubChem CID143651133
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name5-[(3R)-1-(2-hydroxypropanoyl)pyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one
SMILESCC(O)C(=O)N1CC[C@@H](c2n[nH]c(=O)s2)C1
InChIInChI=1S/C9H13N3O3S/c1-5(13)8(14)12-3-2-6(4-12)7-10-11-9(15)16-7/h5-6,13H,2-4H2,1H3,(H,11,15)/t5?,6-/m1/s1
InChIKeyLYBYAQXHJPUHFS-PRJDIBJQSA-N
XLogP-0.47
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-(2-hydroxypropanoyl)pyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one?
The IUPAC name of 5-[(3R)-1-(2-hydroxypropanoyl)pyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one (CID 143651133) is 5-[(3R)-1-(2-hydroxypropanoyl)pyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one.
What is the SMILES notation for 5-[(3R)-1-(2-hydroxypropanoyl)pyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one?
The canonical SMILES for 5-[(3R)-1-(2-hydroxypropanoyl)pyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one is CC(O)C(=O)N1CC[C@@H](c2n[nH]c(=O)s2)C1.
What is the InChIKey of 5-[(3R)-1-(2-hydroxypropanoyl)pyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one?
The InChIKey is LYBYAQXHJPUHFS-PRJDIBJQSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-5(13)8(14)12-3-2-6(4-12)7-10-11-9(15)16-7/h5-6,13H,2-4H2,1H3,(H,11,15)/t5?,6-/m1/s1.
What are the key properties of 5-[(3R)-1-(2-hydroxypropanoyl)pyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one?
5-[(3R)-1-(2-hydroxypropanoyl)pyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one has a molecular weight of 243.29 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-(2-hydroxypropanoyl)pyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one is sourced from PubChem (CID 143651133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).