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

C11H16N2O3S — CID 2253148

IUPACethyl 2-[2-(butanoylamino)-1,3-thiazol-4-yl]acetate
SMILESCCCC(=O)Nc1nc(CC(=O)OCC)cs1
InChIInChI=1S/C11H16N2O3S/c1-3-5-9(14)13-11-12-8(7-17-11)6-10(15)16-4-2/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyKBZNTQHUXDMNAQ-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.99
Rot. Bonds6

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

ethyl 2-[2-(butanoylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 2253148) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is ethyl 2-[2-(butanoylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(butanoylamino)-1,3-thiazol-4-yl]acetate
PubChem CID2253148
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Nameethyl 2-[2-(butanoylamino)-1,3-thiazol-4-yl]acetate
SMILESCCCC(=O)Nc1nc(CC(=O)OCC)cs1
InChIInChI=1S/C11H16N2O3S/c1-3-5-9(14)13-11-12-8(7-17-11)6-10(15)16-4-2/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyKBZNTQHUXDMNAQ-UHFFFAOYSA-N
XLogP1.99
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-(butanoylamino)-1,3-thiazol-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(butanoylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(butanoylamino)-1,3-thiazol-4-yl]acetate (CID 2253148) is ethyl 2-[2-(butanoylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(butanoylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(butanoylamino)-1,3-thiazol-4-yl]acetate is CCCC(=O)Nc1nc(CC(=O)OCC)cs1.
What is the InChIKey of ethyl 2-[2-(butanoylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is KBZNTQHUXDMNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-3-5-9(14)13-11-12-8(7-17-11)6-10(15)16-4-2/h7H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of ethyl 2-[2-(butanoylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(butanoylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 256.33 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(butanoylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2253148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).