2-(aminomethyl)-1,3-thiazole-4-carboxylic acid;hydrochloride

C5H7ClN2O2S — CID 10081356

IUPAC2-(aminomethyl)-1,3-thiazole-4-carboxylic acid;hydrochloride
SMILESCl.NCc1nc(C(=O)O)cs1
InChIInChI=1S/C5H6N2O2S.ClH/c6-1-4-7-3(2-10-4)5(8)9;/h2H,1,6H2,(H,8,9);1H
InChIKeyHEMBHCTVNQHUPY-UHFFFAOYSA-N
MW194.64 g/mol
LogP0.72
Rot. Bonds2

About 2-(aminomethyl)-1,3-thiazole-4-carboxylic acid;hydrochloride

2-(aminomethyl)-1,3-thiazole-4-carboxylic acid;hydrochloride (PubChem CID 10081356) has the molecular formula C5H7ClN2O2S and a molecular weight of 194.64 g/mol. Its IUPAC name is 2-(aminomethyl)-1,3-thiazole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-1,3-thiazole-4-carboxylic acid;hydrochloride
PubChem CID10081356
Molecular FormulaC5H7ClN2O2S
Molecular Weight194.64 g/mol
Exact Mass193.99
IUPAC Name2-(aminomethyl)-1,3-thiazole-4-carboxylic acid;hydrochloride
SMILESCl.NCc1nc(C(=O)O)cs1
InChIInChI=1S/C5H6N2O2S.ClH/c6-1-4-7-3(2-10-4)5(8)9;/h2H,1,6H2,(H,8,9);1H
InChIKeyHEMBHCTVNQHUPY-UHFFFAOYSA-N
XLogP0.72
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.64
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1,3-thiazole-4-carboxylic acid;hydrochloride?
The IUPAC name of 2-(aminomethyl)-1,3-thiazole-4-carboxylic acid;hydrochloride (CID 10081356) is 2-(aminomethyl)-1,3-thiazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-1,3-thiazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-1,3-thiazole-4-carboxylic acid;hydrochloride is Cl.NCc1nc(C(=O)O)cs1.
What is the InChIKey of 2-(aminomethyl)-1,3-thiazole-4-carboxylic acid;hydrochloride?
The InChIKey is HEMBHCTVNQHUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S.ClH/c6-1-4-7-3(2-10-4)5(8)9;/h2H,1,6H2,(H,8,9);1H.
What are the key properties of 2-(aminomethyl)-1,3-thiazole-4-carboxylic acid;hydrochloride?
2-(aminomethyl)-1,3-thiazole-4-carboxylic acid;hydrochloride has a molecular weight of 194.64 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1,3-thiazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 10081356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).