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

C6H12N2OS — CID 59007232

IUPAC(2S)-2-amino-1-(1,3-thiazolidin-3-yl)propan-1-one
SMILESC[C@H](N)C(=O)N1CCSC1
InChIInChI=1S/C6H12N2OS/c1-5(7)6(9)8-2-3-10-4-8/h5H,2-4,7H2,1H3/t5-/m0/s1
InChIKeyWVHJAZLSNVLXQS-YFKPBYRVSA-N
MW160.24 g/mol
LogP-0.13
Rot. Bonds1

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

(2S)-2-amino-1-(1,3-thiazolidin-3-yl)propan-1-one (PubChem CID 59007232) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is (2S)-2-amino-1-(1,3-thiazolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(1,3-thiazolidin-3-yl)propan-1-one
PubChem CID59007232
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC Name(2S)-2-amino-1-(1,3-thiazolidin-3-yl)propan-1-one
SMILESC[C@H](N)C(=O)N1CCSC1
InChIInChI=1S/C6H12N2OS/c1-5(7)6(9)8-2-3-10-4-8/h5H,2-4,7H2,1H3/t5-/m0/s1
InChIKeyWVHJAZLSNVLXQS-YFKPBYRVSA-N
XLogP-0.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(1,3-thiazolidin-3-yl)propan-1-one?
The IUPAC name of (2S)-2-amino-1-(1,3-thiazolidin-3-yl)propan-1-one (CID 59007232) is (2S)-2-amino-1-(1,3-thiazolidin-3-yl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(1,3-thiazolidin-3-yl)propan-1-one?
The canonical SMILES for (2S)-2-amino-1-(1,3-thiazolidin-3-yl)propan-1-one is C[C@H](N)C(=O)N1CCSC1.
What is the InChIKey of (2S)-2-amino-1-(1,3-thiazolidin-3-yl)propan-1-one?
The InChIKey is WVHJAZLSNVLXQS-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12N2OS/c1-5(7)6(9)8-2-3-10-4-8/h5H,2-4,7H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-2-amino-1-(1,3-thiazolidin-3-yl)propan-1-one?
(2S)-2-amino-1-(1,3-thiazolidin-3-yl)propan-1-one has a molecular weight of 160.24 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(1,3-thiazolidin-3-yl)propan-1-one is sourced from PubChem (CID 59007232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).