[(3R)-3-hydroxypyrrolidin-1-yl]-(1,3,4-thiadiazol-2-yl)methanone

C7H9N3O2S — CID 173069938

IUPAC[(3R)-3-hydroxypyrrolidin-1-yl]-(1,3,4-thiadiazol-2-yl)methanone
SMILESO=C(c1nncs1)N1CC[C@@H](O)C1
InChIInChI=1S/C7H9N3O2S/c11-5-1-2-10(3-5)7(12)6-9-8-4-13-6/h4-5,11H,1-3H2/t5-/m1/s1
InChIKeyGVQWZJBIDYAXHV-RXMQYKEDSA-N
MW199.23 g/mol
LogP-0.26
Rot. Bonds1

About [(3R)-3-hydroxypyrrolidin-1-yl]-(1,3,4-thiadiazol-2-yl)methanone

[(3R)-3-hydroxypyrrolidin-1-yl]-(1,3,4-thiadiazol-2-yl)methanone (PubChem CID 173069938) has the molecular formula C7H9N3O2S and a molecular weight of 199.23 g/mol. Its IUPAC name is [(3R)-3-hydroxypyrrolidin-1-yl]-(1,3,4-thiadiazol-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxypyrrolidin-1-yl]-(1,3,4-thiadiazol-2-yl)methanone
PubChem CID173069938
Molecular FormulaC7H9N3O2S
Molecular Weight199.23 g/mol
Exact Mass199.04
IUPAC Name[(3R)-3-hydroxypyrrolidin-1-yl]-(1,3,4-thiadiazol-2-yl)methanone
SMILESO=C(c1nncs1)N1CC[C@@H](O)C1
InChIInChI=1S/C7H9N3O2S/c11-5-1-2-10(3-5)7(12)6-9-8-4-13-6/h4-5,11H,1-3H2/t5-/m1/s1
InChIKeyGVQWZJBIDYAXHV-RXMQYKEDSA-N
XLogP-0.26
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-hydroxypyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116697079
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
(3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone
CID 102922153
(2,3-difluoro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 105381176
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone
CID 130949994
[(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 79029409
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-iodothiophen-2-yl)methanone
CID 126983180
(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone
CID 62916564
(3-hydroxypyrrolidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80617390
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 66379644
(3,6-dichloropyridazin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291069
(3,6-dimethylpyridazin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 103879517

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(1,3,4-thiadiazol-2-yl)methanone?
The IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(1,3,4-thiadiazol-2-yl)methanone (CID 173069938) is [(3R)-3-hydroxypyrrolidin-1-yl]-(1,3,4-thiadiazol-2-yl)methanone.
What is the SMILES notation for [(3R)-3-hydroxypyrrolidin-1-yl]-(1,3,4-thiadiazol-2-yl)methanone?
The canonical SMILES for [(3R)-3-hydroxypyrrolidin-1-yl]-(1,3,4-thiadiazol-2-yl)methanone is O=C(c1nncs1)N1CC[C@@H](O)C1.
What is the InChIKey of [(3R)-3-hydroxypyrrolidin-1-yl]-(1,3,4-thiadiazol-2-yl)methanone?
The InChIKey is GVQWZJBIDYAXHV-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H9N3O2S/c11-5-1-2-10(3-5)7(12)6-9-8-4-13-6/h4-5,11H,1-3H2/t5-/m1/s1.
What are the key properties of [(3R)-3-hydroxypyrrolidin-1-yl]-(1,3,4-thiadiazol-2-yl)methanone?
[(3R)-3-hydroxypyrrolidin-1-yl]-(1,3,4-thiadiazol-2-yl)methanone has a molecular weight of 199.23 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxypyrrolidin-1-yl]-(1,3,4-thiadiazol-2-yl)methanone is sourced from PubChem (CID 173069938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).