2-ethoxyethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate

C9H14N2O3S — CID 66378778

IUPAC2-ethoxyethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate
SMILESCCOCCOC(=O)c1csc(CN)n1
InChIInChI=1S/C9H14N2O3S/c1-2-13-3-4-14-9(12)7-6-15-8(5-10)11-7/h6H,2-5,10H2,1H3
InChIKeyQFIXJJABJMZUBL-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.80
Rot. Bonds6

About 2-ethoxyethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate

2-ethoxyethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate (PubChem CID 66378778) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-ethoxyethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name2-ethoxyethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate
PubChem CID66378778
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name2-ethoxyethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate
SMILESCCOCCOC(=O)c1csc(CN)n1
InChIInChI=1S/C9H14N2O3S/c1-2-13-3-4-14-9(12)7-6-15-8(5-10)11-7/h6H,2-5,10H2,1H3
InChIKeyQFIXJJABJMZUBL-UHFFFAOYSA-N
XLogP0.80
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate
CID 104562946
ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71697793
3-(2-methoxyethoxy)propyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate
CID 103403335
octyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate
CID 66379955
2-(aminomethyl)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119675579
3-phenylpropyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate
CID 66380535
2-ethoxyethyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 86914535
3-methylbutyl 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate
CID 66373104
2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 66377889
2-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 81059550
ethyl 2-[[3,5-bis[(4-ethoxycarbonyl-1,3-thiazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-1,3-thiazole-4-carboxylate
CID 102278062
ethyl 2-(methylsulfanylmethyl)-1,3-thiazole-4-carboxylate
CID 115422507

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of 2-ethoxyethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate (CID 66378778) is 2-ethoxyethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for 2-ethoxyethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for 2-ethoxyethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate is CCOCCOC(=O)c1csc(CN)n1.
What is the InChIKey of 2-ethoxyethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is QFIXJJABJMZUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-2-13-3-4-14-9(12)7-6-15-8(5-10)11-7/h6H,2-5,10H2,1H3.
What are the key properties of 2-ethoxyethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate?
2-ethoxyethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate has a molecular weight of 230.29 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 66378778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).