ethyl 2-[2-(4-aminobutyl)-1,3-thiazol-4-yl]acetate

C11H18N2O2S — CID 107380238

IUPACethyl 2-[2-(4-aminobutyl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(CCCCN)n1
InChIInChI=1S/C11H18N2O2S/c1-2-15-11(14)7-9-8-16-10(13-9)5-3-4-6-12/h8H,2-7,12H2,1H3
InChIKeyGAMZQTVWKHMHFR-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.53
Rot. Bonds7

About ethyl 2-[2-(4-aminobutyl)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(4-aminobutyl)-1,3-thiazol-4-yl]acetate (PubChem CID 107380238) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is ethyl 2-[2-(4-aminobutyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-aminobutyl)-1,3-thiazol-4-yl]acetate
PubChem CID107380238
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Nameethyl 2-[2-(4-aminobutyl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(CCCCN)n1
InChIInChI=1S/C11H18N2O2S/c1-2-15-11(14)7-9-8-16-10(13-9)5-3-4-6-12/h8H,2-7,12H2,1H3
InChIKeyGAMZQTVWKHMHFR-UHFFFAOYSA-N
XLogP1.53
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate
CID 107380154
ethyl 4-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate
CID 110450872
2-[2-(5-aminopentyl)-1,3-thiazol-4-yl]acetamide
CID 82547698
ethyl 2-[2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]acetate
CID 80574337
ethyl 2-[2-(benzamidomethyl)-1,3-thiazol-4-yl]acetate
CID 7140220
ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
CID 10727325
ethyl 2-[2-(2-aminopropan-2-yl)-1,3-thiazol-4-yl]acetate
CID 107380027
ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
methyl 1-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 110450716
2-[2-(5-aminopentyl)-1,3-thiazol-4-yl]-N-(4-methylpiperazin-1-yl)acetamide
CID 110450519
ethyl 2-[2-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1,3-thiazol-4-yl]acetate
CID 147288779

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-aminobutyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(4-aminobutyl)-1,3-thiazol-4-yl]acetate (CID 107380238) is ethyl 2-[2-(4-aminobutyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(4-aminobutyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(4-aminobutyl)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(CCCCN)n1.
What is the InChIKey of ethyl 2-[2-(4-aminobutyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is GAMZQTVWKHMHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-2-15-11(14)7-9-8-16-10(13-9)5-3-4-6-12/h8H,2-7,12H2,1H3.
What are the key properties of ethyl 2-[2-(4-aminobutyl)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(4-aminobutyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 242.34 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-aminobutyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 107380238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).