ethyl 3-(aminomethyl)-1,2-thiazole-5-carboxylate

C7H10N2O2S — CID 67395383

IUPACethyl 3-(aminomethyl)-1,2-thiazole-5-carboxylate
SMILESCCOC(=O)c1cc(CN)ns1
InChIInChI=1S/C7H10N2O2S/c1-2-11-7(10)6-3-5(4-8)9-12-6/h3H,2,4,8H2,1H3
InChIKeyPMFBCFLGVQAMEB-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.78
Rot. Bonds3

About ethyl 3-(aminomethyl)-1,2-thiazole-5-carboxylate

ethyl 3-(aminomethyl)-1,2-thiazole-5-carboxylate (PubChem CID 67395383) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is ethyl 3-(aminomethyl)-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(aminomethyl)-1,2-thiazole-5-carboxylate
PubChem CID67395383
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Nameethyl 3-(aminomethyl)-1,2-thiazole-5-carboxylate
SMILESCCOC(=O)c1cc(CN)ns1
InChIInChI=1S/C7H10N2O2S/c1-2-11-7(10)6-3-5(4-8)9-12-6/h3H,2,4,8H2,1H3
InChIKeyPMFBCFLGVQAMEB-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(aminomethyl)-1,2-thiazole-5-carboxylate?
The IUPAC name of ethyl 3-(aminomethyl)-1,2-thiazole-5-carboxylate (CID 67395383) is ethyl 3-(aminomethyl)-1,2-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(aminomethyl)-1,2-thiazole-5-carboxylate?
The canonical SMILES for ethyl 3-(aminomethyl)-1,2-thiazole-5-carboxylate is CCOC(=O)c1cc(CN)ns1.
What is the InChIKey of ethyl 3-(aminomethyl)-1,2-thiazole-5-carboxylate?
The InChIKey is PMFBCFLGVQAMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-11-7(10)6-3-5(4-8)9-12-6/h3H,2,4,8H2,1H3.
What are the key properties of ethyl 3-(aminomethyl)-1,2-thiazole-5-carboxylate?
ethyl 3-(aminomethyl)-1,2-thiazole-5-carboxylate has a molecular weight of 186.24 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(aminomethyl)-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 67395383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).