methyl 2-(1-aminoethyl)-1,3-thiazole-5-carboxylate;hydrochloride

C7H11ClN2O2S — CID 67394894

IUPACmethyl 2-(1-aminoethyl)-1,3-thiazole-5-carboxylate;hydrochloride
SMILESCOC(=O)c1cnc(C(C)N)s1.Cl
InChIInChI=1S/C7H10N2O2S.ClH/c1-4(8)6-9-3-5(12-6)7(10)11-2;/h3-4H,8H2,1-2H3;1H
InChIKeyVEZPJLVSMYOEBW-UHFFFAOYSA-N
MW222.70 g/mol
LogP1.37
Rot. Bonds2

About methyl 2-(1-aminoethyl)-1,3-thiazole-5-carboxylate;hydrochloride

methyl 2-(1-aminoethyl)-1,3-thiazole-5-carboxylate;hydrochloride (PubChem CID 67394894) has the molecular formula C7H11ClN2O2S and a molecular weight of 222.70 g/mol. Its IUPAC name is methyl 2-(1-aminoethyl)-1,3-thiazole-5-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(1-aminoethyl)-1,3-thiazole-5-carboxylate;hydrochloride
PubChem CID67394894
Molecular FormulaC7H11ClN2O2S
Molecular Weight222.70 g/mol
Exact Mass222.02
IUPAC Namemethyl 2-(1-aminoethyl)-1,3-thiazole-5-carboxylate;hydrochloride
SMILESCOC(=O)c1cnc(C(C)N)s1.Cl
InChIInChI=1S/C7H10N2O2S.ClH/c1-4(8)6-9-3-5(12-6)7(10)11-2;/h3-4H,8H2,1-2H3;1H
InChIKeyVEZPJLVSMYOEBW-UHFFFAOYSA-N
XLogP1.37
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.70
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-aminoethyl)-1,3-thiazole-5-carboxylate;hydrochloride?
The IUPAC name of methyl 2-(1-aminoethyl)-1,3-thiazole-5-carboxylate;hydrochloride (CID 67394894) is methyl 2-(1-aminoethyl)-1,3-thiazole-5-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-(1-aminoethyl)-1,3-thiazole-5-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-(1-aminoethyl)-1,3-thiazole-5-carboxylate;hydrochloride is COC(=O)c1cnc(C(C)N)s1.Cl.
What is the InChIKey of methyl 2-(1-aminoethyl)-1,3-thiazole-5-carboxylate;hydrochloride?
The InChIKey is VEZPJLVSMYOEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S.ClH/c1-4(8)6-9-3-5(12-6)7(10)11-2;/h3-4H,8H2,1-2H3;1H.
What are the key properties of methyl 2-(1-aminoethyl)-1,3-thiazole-5-carboxylate;hydrochloride?
methyl 2-(1-aminoethyl)-1,3-thiazole-5-carboxylate;hydrochloride has a molecular weight of 222.70 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-aminoethyl)-1,3-thiazole-5-carboxylate;hydrochloride is sourced from PubChem (CID 67394894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).