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

C10H15N3O3S — CID 110460282

IUPACethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CCN)n1
InChIInChI=1S/C10H15N3O3S/c1-2-16-9(15)5-7-6-17-10(12-7)13-8(14)3-4-11/h6H,2-5,11H2,1H3,(H,12,13,14)
InChIKeyNWTVGHPTNHQJNF-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.54
Rot. Bonds6

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

ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 110460282) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
PubChem CID110460282
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Nameethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CCN)n1
InChIInChI=1S/C10H15N3O3S/c1-2-16-9(15)5-7-6-17-10(12-7)13-8(14)3-4-11/h6H,2-5,11H2,1H3,(H,12,13,14)
InChIKeyNWTVGHPTNHQJNF-UHFFFAOYSA-N
XLogP0.54
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62715817
ethyl 2-[2-(pent-4-enoylamino)-1,3-thiazol-4-yl]acetate
CID 51106392
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-[3-(4-chlorophenyl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 19220870
ethyl 2-[2-[[2-(2-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 51185483
ethyl 2-[2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 3826746
ethyl 2-[2-(3-pyrrolidin-1-ylpropanoylamino)-1,3-thiazol-4-yl]acetate
CID 101012113
ethyl 2-[2-[(4-amino-3-methoxybutanoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride
CID 120586454
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
ethyl 2-[2-[[2-(4-aminophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 110451962
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 8661263
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methylpentanoate
CID 7848130

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate (CID 110460282) is ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)CCN)n1.
What is the InChIKey of ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is NWTVGHPTNHQJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-2-16-9(15)5-7-6-17-10(12-7)13-8(14)3-4-11/h6H,2-5,11H2,1H3,(H,12,13,14).
What are the key properties of ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 257.31 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 110460282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).