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

C7H10N2O2S — CID 67394912

IUPACmethyl 2-(2-aminoethyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(CCN)s1
InChIInChI=1S/C7H10N2O2S/c1-11-7(10)5-4-9-6(12-5)2-3-8/h4H,2-3,8H2,1H3
InChIKeyGALBSLMDGDUFLK-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.43
Rot. Bonds3

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

methyl 2-(2-aminoethyl)-1,3-thiazole-5-carboxylate (PubChem CID 67394912) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is methyl 2-(2-aminoethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-aminoethyl)-1,3-thiazole-5-carboxylate
PubChem CID67394912
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Namemethyl 2-(2-aminoethyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(CCN)s1
InChIInChI=1S/C7H10N2O2S/c1-11-7(10)5-4-9-6(12-5)2-3-8/h4H,2-3,8H2,1H3
InChIKeyGALBSLMDGDUFLK-UHFFFAOYSA-N
XLogP0.43
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-aminoethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(2-aminoethyl)-1,3-thiazole-5-carboxylate (CID 67394912) is methyl 2-(2-aminoethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2-aminoethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(2-aminoethyl)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(CCN)s1.
What is the InChIKey of methyl 2-(2-aminoethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is GALBSLMDGDUFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-11-7(10)5-4-9-6(12-5)2-3-8/h4H,2-3,8H2,1H3.
What are the key properties of methyl 2-(2-aminoethyl)-1,3-thiazole-5-carboxylate?
methyl 2-(2-aminoethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 186.24 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-aminoethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 67394912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).