(2S)-2-amino-1-(1,2-thiazol-5-yl)propan-1-one

C6H8N2OS — CID 96735462

IUPAC(2S)-2-amino-1-(1,2-thiazol-5-yl)propan-1-one
SMILESC[C@H](N)C(=O)c1ccns1
InChIInChI=1S/C6H8N2OS/c1-4(7)6(9)5-2-3-8-10-5/h2-4H,7H2,1H3/t4-/m0/s1
InChIKeyZPSNBPHSRCUKLN-BYPYZUCNSA-N
MW156.21 g/mol
LogP0.67
Rot. Bonds2

About (2S)-2-amino-1-(1,2-thiazol-5-yl)propan-1-one

(2S)-2-amino-1-(1,2-thiazol-5-yl)propan-1-one (PubChem CID 96735462) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is (2S)-2-amino-1-(1,2-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(1,2-thiazol-5-yl)propan-1-one
PubChem CID96735462
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name(2S)-2-amino-1-(1,2-thiazol-5-yl)propan-1-one
SMILESC[C@H](N)C(=O)c1ccns1
InChIInChI=1S/C6H8N2OS/c1-4(7)6(9)5-2-3-8-10-5/h2-4H,7H2,1H3/t4-/m0/s1
InChIKeyZPSNBPHSRCUKLN-BYPYZUCNSA-N
XLogP0.67
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(1,2-thiazol-5-yl)propan-1-one?
The IUPAC name of (2S)-2-amino-1-(1,2-thiazol-5-yl)propan-1-one (CID 96735462) is (2S)-2-amino-1-(1,2-thiazol-5-yl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(1,2-thiazol-5-yl)propan-1-one?
The canonical SMILES for (2S)-2-amino-1-(1,2-thiazol-5-yl)propan-1-one is C[C@H](N)C(=O)c1ccns1.
What is the InChIKey of (2S)-2-amino-1-(1,2-thiazol-5-yl)propan-1-one?
The InChIKey is ZPSNBPHSRCUKLN-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-4(7)6(9)5-2-3-8-10-5/h2-4H,7H2,1H3/t4-/m0/s1.
What are the key properties of (2S)-2-amino-1-(1,2-thiazol-5-yl)propan-1-one?
(2S)-2-amino-1-(1,2-thiazol-5-yl)propan-1-one has a molecular weight of 156.21 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(1,2-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 96735462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).