2-(2-amino-1,3-thiazol-4-yl)propanoic acid;hydrochloride

C6H9ClN2O2S — CID 87287687

IUPAC2-(2-amino-1,3-thiazol-4-yl)propanoic acid;hydrochloride
SMILESCC(C(=O)O)c1csc(N)n1.Cl
InChIInChI=1S/C6H8N2O2S.ClH/c1-3(5(9)10)4-2-11-6(7)8-4;/h2-3H,1H3,(H2,7,8)(H,9,10);1H
InChIKeyPMFBHOBDGBROIF-UHFFFAOYSA-N
MW208.67 g/mol
LogP1.34
Rot. Bonds2

About 2-(2-amino-1,3-thiazol-4-yl)propanoic acid;hydrochloride

2-(2-amino-1,3-thiazol-4-yl)propanoic acid;hydrochloride (PubChem CID 87287687) has the molecular formula C6H9ClN2O2S and a molecular weight of 208.67 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)propanoic acid;hydrochloride
PubChem CID87287687
Molecular FormulaC6H9ClN2O2S
Molecular Weight208.67 g/mol
Exact Mass208.01
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)propanoic acid;hydrochloride
SMILESCC(C(=O)O)c1csc(N)n1.Cl
InChIInChI=1S/C6H8N2O2S.ClH/c1-3(5(9)10)4-2-11-6(7)8-4;/h2-3H,1H3,(H2,7,8)(H,9,10);1H
InChIKeyPMFBHOBDGBROIF-UHFFFAOYSA-N
XLogP1.34
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.67
LogP ≤ 51.34
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-4-yl)propanoic acid;hydrochloride?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)propanoic acid;hydrochloride (CID 87287687) is 2-(2-amino-1,3-thiazol-4-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)propanoic acid;hydrochloride?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)propanoic acid;hydrochloride is CC(C(=O)O)c1csc(N)n1.Cl.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)propanoic acid;hydrochloride?
The InChIKey is PMFBHOBDGBROIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S.ClH/c1-3(5(9)10)4-2-11-6(7)8-4;/h2-3H,1H3,(H2,7,8)(H,9,10);1H.
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)propanoic acid;hydrochloride?
2-(2-amino-1,3-thiazol-4-yl)propanoic acid;hydrochloride has a molecular weight of 208.67 g/mol, XLogP of 1.34, 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-4-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 87287687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).