2-(2-amino-1,3-thiazol-5-yl)propanoic acid

C6H8N2O2S — CID 22170673

IUPAC2-(2-amino-1,3-thiazol-5-yl)propanoic acid
SMILESCC(C(=O)O)c1cnc(N)s1
InChIInChI=1S/C6H8N2O2S/c1-3(5(9)10)4-2-8-6(7)11-4/h2-3H,1H3,(H2,7,8)(H,9,10)
InChIKeySIDFCSYJIQQHAF-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.91
Rot. Bonds2

About 2-(2-amino-1,3-thiazol-5-yl)propanoic acid

2-(2-amino-1,3-thiazol-5-yl)propanoic acid (PubChem CID 22170673) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-5-yl)propanoic acid
PubChem CID22170673
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name2-(2-amino-1,3-thiazol-5-yl)propanoic acid
SMILESCC(C(=O)O)c1cnc(N)s1
InChIInChI=1S/C6H8N2O2S/c1-3(5(9)10)4-2-8-6(7)11-4/h2-3H,1H3,(H2,7,8)(H,9,10)
InChIKeySIDFCSYJIQQHAF-UHFFFAOYSA-N
XLogP0.91
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-5-yl)propanoic acid?
The IUPAC name of 2-(2-amino-1,3-thiazol-5-yl)propanoic acid (CID 22170673) is 2-(2-amino-1,3-thiazol-5-yl)propanoic acid.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-5-yl)propanoic acid?
The canonical SMILES for 2-(2-amino-1,3-thiazol-5-yl)propanoic acid is CC(C(=O)O)c1cnc(N)s1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-5-yl)propanoic acid?
The InChIKey is SIDFCSYJIQQHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-3(5(9)10)4-2-8-6(7)11-4/h2-3H,1H3,(H2,7,8)(H,9,10).
What are the key properties of 2-(2-amino-1,3-thiazol-5-yl)propanoic acid?
2-(2-amino-1,3-thiazol-5-yl)propanoic acid has a molecular weight of 172.21 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-5-yl)propanoic acid is sourced from PubChem (CID 22170673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).