(2R)-2-amino-3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one

C11H15N3OS — CID 71131250

IUPAC(2R)-2-amino-3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one
SMILESN[C@H](Cc1ccncc1)C(=O)N1CCSC1
InChIInChI=1S/C11H15N3OS/c12-10(7-9-1-3-13-4-2-9)11(15)14-5-6-16-8-14/h1-4,10H,5-8,12H2/t10-/m1/s1
InChIKeyKNUIJJFBPXXXIN-SNVBAGLBSA-N
MW237.33 g/mol
LogP0.48
Rot. Bonds3

About (2R)-2-amino-3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one

(2R)-2-amino-3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one (PubChem CID 71131250) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is (2R)-2-amino-3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one
PubChem CID71131250
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name(2R)-2-amino-3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one
SMILESN[C@H](Cc1ccncc1)C(=O)N1CCSC1
InChIInChI=1S/C11H15N3OS/c12-10(7-9-1-3-13-4-2-9)11(15)14-5-6-16-8-14/h1-4,10H,5-8,12H2/t10-/m1/s1
InChIKeyKNUIJJFBPXXXIN-SNVBAGLBSA-N
XLogP0.48
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(2S)-2-amino-3-oxo-3-(1,3-thiazolidin-3-yl)propyl]phenyl]benzoic acid
CID 23645387
3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 123982868
(2S)-2-amino-1-(1,3-thiazolidin-3-yl)pentan-1-one
CID 70304364
2-amino-4-phenyl-1-thiomorpholin-4-ylbutan-1-one
CID 114925089
(3S)-3-amino-2-oxo-4-pyridin-4-ylbutanoic acid
CID 169109798
(2S)-2-amino-1-(4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
CID 88677274
(2S)-2-amino-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 59007232
S-methyl (2S)-2-amino-3-pyridin-4-ylpropanethioate
CID 167273372
4-[(2S)-2-amino-3-phenylpropanoyl]thiomorpholine-3-carboxylic acid
CID 82905155
4-(2-amino-3-phenylpropanoyl)thiomorpholine-3-carboxylic acid
CID 82904921
[(2S)-2-amino-3-phenylpropanoyl] thiomorpholine-4-carboxylate
CID 90859857
(2S)-2-amino-3-[4-[(3R)-3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butoxy]phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 25221565

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one (CID 71131250) is (2R)-2-amino-3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one is N[C@H](Cc1ccncc1)C(=O)N1CCSC1.
What is the InChIKey of (2R)-2-amino-3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one?
The InChIKey is KNUIJJFBPXXXIN-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15N3OS/c12-10(7-9-1-3-13-4-2-9)11(15)14-5-6-16-8-14/h1-4,10H,5-8,12H2/t10-/m1/s1.
What are the key properties of (2R)-2-amino-3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one?
(2R)-2-amino-3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one has a molecular weight of 237.33 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one is sourced from PubChem (CID 71131250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).