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

C10H16N2O2S — CID 107380154

IUPACethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(CCCN)n1
InChIInChI=1S/C10H16N2O2S/c1-2-14-10(13)6-8-7-15-9(12-8)4-3-5-11/h7H,2-6,11H2,1H3
InChIKeyNTKFUTDBCVEAFP-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.14
Rot. Bonds6

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

ethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate (PubChem CID 107380154) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is ethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate
PubChem CID107380154
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Nameethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(CCCN)n1
InChIInChI=1S/C10H16N2O2S/c1-2-14-10(13)6-8-7-15-9(12-8)4-3-5-11/h7H,2-6,11H2,1H3
InChIKeyNTKFUTDBCVEAFP-UHFFFAOYSA-N
XLogP1.14
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(4-aminobutyl)-1,3-thiazol-4-yl]acetate
CID 107380238
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
methyl 1-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 110450716
ethyl 2-[2-(benzamidomethyl)-1,3-thiazol-4-yl]acetate
CID 7140220
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 82547668
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 4-[[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 110450768

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate (CID 107380154) is ethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(CCCN)n1.
What is the InChIKey of ethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is NTKFUTDBCVEAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-2-14-10(13)6-8-7-15-9(12-8)4-3-5-11/h7H,2-6,11H2,1H3.
What are the key properties of ethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 228.32 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 107380154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).