(2S)-2-amino-3-naphthalen-2-yl-1-(1,3-thiazolidin-3-yl)propan-1-one

C16H18N2OS — CID 23645391

IUPAC(2S)-2-amino-3-naphthalen-2-yl-1-(1,3-thiazolidin-3-yl)propan-1-one
SMILESN[C@@H](Cc1ccc2ccccc2c1)C(=O)N1CCSC1
InChIInChI=1S/C16H18N2OS/c17-15(16(19)18-7-8-20-11-18)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,15H,7-8,10-11,17H2/t15-/m0/s1
InChIKeyOEFBLVPXRAOIDF-HNNXBMFYSA-N
MW286.40 g/mol
LogP2.24
Rot. Bonds3

About (2S)-2-amino-3-naphthalen-2-yl-1-(1,3-thiazolidin-3-yl)propan-1-one

(2S)-2-amino-3-naphthalen-2-yl-1-(1,3-thiazolidin-3-yl)propan-1-one (PubChem CID 23645391) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is (2S)-2-amino-3-naphthalen-2-yl-1-(1,3-thiazolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-naphthalen-2-yl-1-(1,3-thiazolidin-3-yl)propan-1-one
PubChem CID23645391
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name(2S)-2-amino-3-naphthalen-2-yl-1-(1,3-thiazolidin-3-yl)propan-1-one
SMILESN[C@@H](Cc1ccc2ccccc2c1)C(=O)N1CCSC1
InChIInChI=1S/C16H18N2OS/c17-15(16(19)18-7-8-20-11-18)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,15H,7-8,10-11,17H2/t15-/m0/s1
InChIKeyOEFBLVPXRAOIDF-HNNXBMFYSA-N
XLogP2.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-naphthalen-2-yl-1-(1,3-thiazolidin-3-yl)propan-1-one?
The IUPAC name of (2S)-2-amino-3-naphthalen-2-yl-1-(1,3-thiazolidin-3-yl)propan-1-one (CID 23645391) is (2S)-2-amino-3-naphthalen-2-yl-1-(1,3-thiazolidin-3-yl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-3-naphthalen-2-yl-1-(1,3-thiazolidin-3-yl)propan-1-one?
The canonical SMILES for (2S)-2-amino-3-naphthalen-2-yl-1-(1,3-thiazolidin-3-yl)propan-1-one is N[C@@H](Cc1ccc2ccccc2c1)C(=O)N1CCSC1.
What is the InChIKey of (2S)-2-amino-3-naphthalen-2-yl-1-(1,3-thiazolidin-3-yl)propan-1-one?
The InChIKey is OEFBLVPXRAOIDF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N2OS/c17-15(16(19)18-7-8-20-11-18)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,15H,7-8,10-11,17H2/t15-/m0/s1.
What are the key properties of (2S)-2-amino-3-naphthalen-2-yl-1-(1,3-thiazolidin-3-yl)propan-1-one?
(2S)-2-amino-3-naphthalen-2-yl-1-(1,3-thiazolidin-3-yl)propan-1-one has a molecular weight of 286.40 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-naphthalen-2-yl-1-(1,3-thiazolidin-3-yl)propan-1-one is sourced from PubChem (CID 23645391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).