2-amino-1,3-thiazole-5-carboxylic acid;hydrochloride

C4H5ClN2O2S — CID 86648025

IUPAC2-amino-1,3-thiazole-5-carboxylic acid;hydrochloride
SMILESCl.Nc1ncc(C(=O)O)s1
InChIInChI=1S/C4H4N2O2S.ClH/c5-4-6-1-2(9-4)3(7)8;/h1H,(H2,5,6)(H,7,8);1H
InChIKeyQLITWTWXJQNWLG-UHFFFAOYSA-N
MW180.62 g/mol
LogP0.85
Rot. Bonds1

About 2-amino-1,3-thiazole-5-carboxylic acid;hydrochloride

2-amino-1,3-thiazole-5-carboxylic acid;hydrochloride (PubChem CID 86648025) has the molecular formula C4H5ClN2O2S and a molecular weight of 180.62 g/mol. Its IUPAC name is 2-amino-1,3-thiazole-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-1,3-thiazole-5-carboxylic acid;hydrochloride
PubChem CID86648025
Molecular FormulaC4H5ClN2O2S
Molecular Weight180.62 g/mol
Exact Mass179.98
IUPAC Name2-amino-1,3-thiazole-5-carboxylic acid;hydrochloride
SMILESCl.Nc1ncc(C(=O)O)s1
InChIInChI=1S/C4H4N2O2S.ClH/c5-4-6-1-2(9-4)3(7)8;/h1H,(H2,5,6)(H,7,8);1H
InChIKeyQLITWTWXJQNWLG-UHFFFAOYSA-N
XLogP0.85
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.62
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,3-thiazole-5-carboxylic acid;hydrochloride?
The IUPAC name of 2-amino-1,3-thiazole-5-carboxylic acid;hydrochloride (CID 86648025) is 2-amino-1,3-thiazole-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-amino-1,3-thiazole-5-carboxylic acid;hydrochloride?
The canonical SMILES for 2-amino-1,3-thiazole-5-carboxylic acid;hydrochloride is Cl.Nc1ncc(C(=O)O)s1.
What is the InChIKey of 2-amino-1,3-thiazole-5-carboxylic acid;hydrochloride?
The InChIKey is QLITWTWXJQNWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2S.ClH/c5-4-6-1-2(9-4)3(7)8;/h1H,(H2,5,6)(H,7,8);1H.
What are the key properties of 2-amino-1,3-thiazole-5-carboxylic acid;hydrochloride?
2-amino-1,3-thiazole-5-carboxylic acid;hydrochloride has a molecular weight of 180.62 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,3-thiazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 86648025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).