ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride

C7H11ClN2O2S — CID 71697793

IUPACethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C7H10N2O2S.ClH/c1-2-11-7(10)5-4-12-6(3-8)9-5;/h4H,2-3,8H2,1H3;1H
InChIKeyHTLRFDRDOIKHDS-UHFFFAOYSA-N
MW222.70 g/mol
LogP1.20
Rot. Bonds3

About ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride

ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride (PubChem CID 71697793) has the molecular formula C7H11ClN2O2S and a molecular weight of 222.70 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride
PubChem CID71697793
Molecular FormulaC7H11ClN2O2S
Molecular Weight222.70 g/mol
Exact Mass222.02
IUPAC Nameethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C7H10N2O2S.ClH/c1-2-11-7(10)5-4-12-6(3-8)9-5;/h4H,2-3,8H2,1H3;1H
InChIKeyHTLRFDRDOIKHDS-UHFFFAOYSA-N
XLogP1.20
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.70
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride (CID 71697793) is ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride is CCOC(=O)c1csc(CN)n1.Cl.
What is the InChIKey of ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride?
The InChIKey is HTLRFDRDOIKHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S.ClH/c1-2-11-7(10)5-4-12-6(3-8)9-5;/h4H,2-3,8H2,1H3;1H.
What are the key properties of ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride?
ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride has a molecular weight of 222.70 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride is sourced from PubChem (CID 71697793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).