2-[(3R)-3-aminopyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride

C9H14ClN3OS — CID 71643827

IUPAC2-[(3R)-3-aminopyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride
SMILESCl.N[C@@H]1CCN(CC(=O)c2nccs2)C1
InChIInChI=1S/C9H13N3OS.ClH/c10-7-1-3-12(5-7)6-8(13)9-11-2-4-14-9;/h2,4,7H,1,3,5-6,10H2;1H/t7-;/m1./s1
InChIKeyFUAUHNJBQDQZIK-OGFXRTJISA-N
MW247.75 g/mol
LogP0.78
Rot. Bonds3

About 2-[(3R)-3-aminopyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride

2-[(3R)-3-aminopyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride (PubChem CID 71643827) has the molecular formula C9H14ClN3OS and a molecular weight of 247.75 g/mol. Its IUPAC name is 2-[(3R)-3-aminopyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-[(3R)-3-aminopyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride
PubChem CID71643827
Molecular FormulaC9H14ClN3OS
Molecular Weight247.75 g/mol
Exact Mass247.05
IUPAC Name2-[(3R)-3-aminopyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride
SMILESCl.N[C@@H]1CCN(CC(=O)c2nccs2)C1
InChIInChI=1S/C9H13N3OS.ClH/c10-7-1-3-12(5-7)6-8(13)9-11-2-4-14-9;/h2,4,7H,1,3,5-6,10H2;1H/t7-;/m1./s1
InChIKeyFUAUHNJBQDQZIK-OGFXRTJISA-N
XLogP0.78
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride?
The IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride (CID 71643827) is 2-[(3R)-3-aminopyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-[(3R)-3-aminopyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride?
The canonical SMILES for 2-[(3R)-3-aminopyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride is Cl.N[C@@H]1CCN(CC(=O)c2nccs2)C1.
What is the InChIKey of 2-[(3R)-3-aminopyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride?
The InChIKey is FUAUHNJBQDQZIK-OGFXRTJISA-N. The full InChI is InChI=1S/C9H13N3OS.ClH/c10-7-1-3-12(5-7)6-8(13)9-11-2-4-14-9;/h2,4,7H,1,3,5-6,10H2;1H/t7-;/m1./s1.
What are the key properties of 2-[(3R)-3-aminopyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride?
2-[(3R)-3-aminopyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride has a molecular weight of 247.75 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride is sourced from PubChem (CID 71643827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).