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

C17H19N3OS — CID 23645385

IUPAC(2S)-2-amino-3-(4-pyridin-2-ylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one
SMILESN[C@@H](Cc1ccc(-c2ccccn2)cc1)C(=O)N1CCSC1
InChIInChI=1S/C17H19N3OS/c18-15(17(21)20-9-10-22-12-20)11-13-4-6-14(7-5-13)16-3-1-2-8-19-16/h1-8,15H,9-12,18H2/t15-/m0/s1
InChIKeyFTKQKMKIXLDMPZ-HNNXBMFYSA-N
MW313.43 g/mol
LogP2.15
Rot. Bonds4

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

(2S)-2-amino-3-(4-pyridin-2-ylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one (PubChem CID 23645385) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-pyridin-2-ylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-pyridin-2-ylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one
PubChem CID23645385
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name(2S)-2-amino-3-(4-pyridin-2-ylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one
SMILESN[C@@H](Cc1ccc(-c2ccccn2)cc1)C(=O)N1CCSC1
InChIInChI=1S/C17H19N3OS/c18-15(17(21)20-9-10-22-12-20)11-13-4-6-14(7-5-13)16-3-1-2-8-19-16/h1-8,15H,9-12,18H2/t15-/m0/s1
InChIKeyFTKQKMKIXLDMPZ-HNNXBMFYSA-N
XLogP2.15
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-pyridin-2-ylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one?
The IUPAC name of (2S)-2-amino-3-(4-pyridin-2-ylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one (CID 23645385) is (2S)-2-amino-3-(4-pyridin-2-ylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-3-(4-pyridin-2-ylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one?
The canonical SMILES for (2S)-2-amino-3-(4-pyridin-2-ylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one is N[C@@H](Cc1ccc(-c2ccccn2)cc1)C(=O)N1CCSC1.
What is the InChIKey of (2S)-2-amino-3-(4-pyridin-2-ylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one?
The InChIKey is FTKQKMKIXLDMPZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N3OS/c18-15(17(21)20-9-10-22-12-20)11-13-4-6-14(7-5-13)16-3-1-2-8-19-16/h1-8,15H,9-12,18H2/t15-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-pyridin-2-ylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one?
(2S)-2-amino-3-(4-pyridin-2-ylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one has a molecular weight of 313.43 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-pyridin-2-ylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one is sourced from PubChem (CID 23645385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).