3-(2-methoxyethoxy)propyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate

C11H18N2O4S — CID 103403335

IUPAC3-(2-methoxyethoxy)propyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate
SMILESCOCCOCCCOC(=O)c1csc(CN)n1
InChIInChI=1S/C11H18N2O4S/c1-15-5-6-16-3-2-4-17-11(14)9-8-18-10(7-12)13-9/h8H,2-7,12H2,1H3
InChIKeyCHADGALOVLEXBP-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.81
Rot. Bonds9

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

3-(2-methoxyethoxy)propyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate (PubChem CID 103403335) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)propyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name3-(2-methoxyethoxy)propyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate
PubChem CID103403335
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name3-(2-methoxyethoxy)propyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate
SMILESCOCCOCCCOC(=O)c1csc(CN)n1
InChIInChI=1S/C11H18N2O4S/c1-15-5-6-16-3-2-4-17-11(14)9-8-18-10(7-12)13-9/h8H,2-7,12H2,1H3
InChIKeyCHADGALOVLEXBP-UHFFFAOYSA-N
XLogP0.81
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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
2-ethoxyethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate
CID 66378778
octyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate
CID 66379955
2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 66377889
ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71697793
3-phenylpropyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate
CID 66380535
2-(aminomethyl)-N-(3-butoxypropyl)-1,3-thiazole-4-carboxamide
CID 113265997
2-(aminomethyl)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119675579
methyl 2-(2-methoxyethyl)-1,3-thiazole-4-carboxylate
CID 115422665
methyl 2-[3-(2-methoxyethoxy)propylamino]-1,3-thiazole-4-carboxylate
CID 114098751
3-methylbutyl 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate
CID 66373104
2-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 66377502

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)propyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of 3-(2-methoxyethoxy)propyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate (CID 103403335) is 3-(2-methoxyethoxy)propyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for 3-(2-methoxyethoxy)propyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for 3-(2-methoxyethoxy)propyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate is COCCOCCCOC(=O)c1csc(CN)n1.
What is the InChIKey of 3-(2-methoxyethoxy)propyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is CHADGALOVLEXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-15-5-6-16-3-2-4-17-11(14)9-8-18-10(7-12)13-9/h8H,2-7,12H2,1H3.
What are the key properties of 3-(2-methoxyethoxy)propyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate?
3-(2-methoxyethoxy)propyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate has a molecular weight of 274.34 g/mol, XLogP of 0.81, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)propyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 103403335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).