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

C6H10Cl2N2O2S — CID 126802024

IUPAC2-amino-3-(1,3-thiazol-5-yl)propanoic acid;dihydrochloride
SMILESCl.Cl.NC(Cc1cncs1)C(=O)O
InChIInChI=1S/C6H8N2O2S.2ClH/c7-5(6(9)10)1-4-2-8-3-11-4;;/h2-3,5H,1,7H2,(H,9,10);2*1H
InChIKeyTZXTVPSMFMEAFX-UHFFFAOYSA-N
MW245.13 g/mol
LogP0.94
Rot. Bonds3

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

2-amino-3-(1,3-thiazol-5-yl)propanoic acid;dihydrochloride (PubChem CID 126802024) has the molecular formula C6H10Cl2N2O2S and a molecular weight of 245.13 g/mol. Its IUPAC name is 2-amino-3-(1,3-thiazol-5-yl)propanoic acid;dihydrochloride.

Molecular Properties

Compound Name2-amino-3-(1,3-thiazol-5-yl)propanoic acid;dihydrochloride
PubChem CID126802024
Molecular FormulaC6H10Cl2N2O2S
Molecular Weight245.13 g/mol
Exact Mass243.98
IUPAC Name2-amino-3-(1,3-thiazol-5-yl)propanoic acid;dihydrochloride
SMILESCl.Cl.NC(Cc1cncs1)C(=O)O
InChIInChI=1S/C6H8N2O2S.2ClH/c7-5(6(9)10)1-4-2-8-3-11-4;;/h2-3,5H,1,7H2,(H,9,10);2*1H
InChIKeyTZXTVPSMFMEAFX-UHFFFAOYSA-N
XLogP0.94
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.13
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,3-thiazol-5-yl)propanoic acid;dihydrochloride?
The IUPAC name of 2-amino-3-(1,3-thiazol-5-yl)propanoic acid;dihydrochloride (CID 126802024) is 2-amino-3-(1,3-thiazol-5-yl)propanoic acid;dihydrochloride.
What is the SMILES notation for 2-amino-3-(1,3-thiazol-5-yl)propanoic acid;dihydrochloride?
The canonical SMILES for 2-amino-3-(1,3-thiazol-5-yl)propanoic acid;dihydrochloride is Cl.Cl.NC(Cc1cncs1)C(=O)O.
What is the InChIKey of 2-amino-3-(1,3-thiazol-5-yl)propanoic acid;dihydrochloride?
The InChIKey is TZXTVPSMFMEAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S.2ClH/c7-5(6(9)10)1-4-2-8-3-11-4;;/h2-3,5H,1,7H2,(H,9,10);2*1H.
What are the key properties of 2-amino-3-(1,3-thiazol-5-yl)propanoic acid;dihydrochloride?
2-amino-3-(1,3-thiazol-5-yl)propanoic acid;dihydrochloride has a molecular weight of 245.13 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,3-thiazol-5-yl)propanoic acid;dihydrochloride is sourced from PubChem (CID 126802024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).