[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone

C12H17N3O2S — CID 73439865

IUPAC[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1C[C@@H](O)[C@H](N2CCCC2)C1
InChIInChI=1S/C12H17N3O2S/c16-11-6-15(12(17)9-7-18-8-13-9)5-10(11)14-3-1-2-4-14/h7-8,10-11,16H,1-6H2/t10-,11-/m1/s1
InChIKeyUSCHFZYEGKQPJQ-GHMZBOCLSA-N
MW267.35 g/mol
LogP0.42
Rot. Bonds2

About [(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone

[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 73439865) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is [(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID73439865
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1C[C@@H](O)[C@H](N2CCCC2)C1
InChIInChI=1S/C12H17N3O2S/c16-11-6-15(12(17)9-7-18-8-13-9)5-10(11)14-3-1-2-4-14/h7-8,10-11,16H,1-6H2/t10-,11-/m1/s1
InChIKeyUSCHFZYEGKQPJQ-GHMZBOCLSA-N
XLogP0.42
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
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CID 63049254
(3,5-dimethylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63038082
(3-ethyl-4-hydroxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 130914065
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(1,3-thiazol-4-yl)methanone
CID 63048030
1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 63023722
pyrrolidin-1-yl-[(3R)-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95551648
(3,4-dimethoxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 103533846
(2,6-dimethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone
CID 63037738
cyclopropyl-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 63049768
[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 143704110
[(4aS,8R,8aS)-8-morpholin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
CID 97364520

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 73439865) is [(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1C[C@@H](O)[C@H](N2CCCC2)C1.
What is the InChIKey of [(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is USCHFZYEGKQPJQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H17N3O2S/c16-11-6-15(12(17)9-7-18-8-13-9)5-10(11)14-3-1-2-4-14/h7-8,10-11,16H,1-6H2/t10-,11-/m1/s1.
What are the key properties of [(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 267.35 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 73439865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).