(2S,3S)-2-amino-3-phenyl-1-(1,3-thiazolidin-3-yl)butan-1-one

C13H18N2OS — CID 23645582

IUPAC(2S,3S)-2-amino-3-phenyl-1-(1,3-thiazolidin-3-yl)butan-1-one
SMILESC[C@@H](c1ccccc1)[C@H](N)C(=O)N1CCSC1
InChIInChI=1S/C13H18N2OS/c1-10(11-5-3-2-4-6-11)12(14)13(16)15-7-8-17-9-15/h2-6,10,12H,7-9,14H2,1H3/t10-,12-/m0/s1
InChIKeyIOMWABXHKNNTNU-JQWIXIFHSA-N
MW250.37 g/mol
LogP1.65
Rot. Bonds3

About (2S,3S)-2-amino-3-phenyl-1-(1,3-thiazolidin-3-yl)butan-1-one

(2S,3S)-2-amino-3-phenyl-1-(1,3-thiazolidin-3-yl)butan-1-one (PubChem CID 23645582) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-phenyl-1-(1,3-thiazolidin-3-yl)butan-1-one.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-phenyl-1-(1,3-thiazolidin-3-yl)butan-1-one
PubChem CID23645582
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name(2S,3S)-2-amino-3-phenyl-1-(1,3-thiazolidin-3-yl)butan-1-one
SMILESC[C@@H](c1ccccc1)[C@H](N)C(=O)N1CCSC1
InChIInChI=1S/C13H18N2OS/c1-10(11-5-3-2-4-6-11)12(14)13(16)15-7-8-17-9-15/h2-6,10,12H,7-9,14H2,1H3/t10-,12-/m0/s1
InChIKeyIOMWABXHKNNTNU-JQWIXIFHSA-N
XLogP1.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-phenyl-1-(1,3-thiazolidin-3-yl)butan-1-one?
The IUPAC name of (2S,3S)-2-amino-3-phenyl-1-(1,3-thiazolidin-3-yl)butan-1-one (CID 23645582) is (2S,3S)-2-amino-3-phenyl-1-(1,3-thiazolidin-3-yl)butan-1-one.
What is the SMILES notation for (2S,3S)-2-amino-3-phenyl-1-(1,3-thiazolidin-3-yl)butan-1-one?
The canonical SMILES for (2S,3S)-2-amino-3-phenyl-1-(1,3-thiazolidin-3-yl)butan-1-one is C[C@@H](c1ccccc1)[C@H](N)C(=O)N1CCSC1.
What is the InChIKey of (2S,3S)-2-amino-3-phenyl-1-(1,3-thiazolidin-3-yl)butan-1-one?
The InChIKey is IOMWABXHKNNTNU-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-10(11-5-3-2-4-6-11)12(14)13(16)15-7-8-17-9-15/h2-6,10,12H,7-9,14H2,1H3/t10-,12-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-phenyl-1-(1,3-thiazolidin-3-yl)butan-1-one?
(2S,3S)-2-amino-3-phenyl-1-(1,3-thiazolidin-3-yl)butan-1-one has a molecular weight of 250.37 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-phenyl-1-(1,3-thiazolidin-3-yl)butan-1-one is sourced from PubChem (CID 23645582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).