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

C10H14N2O3S — CID 732358

IUPACethyl 2-[2-(propanoylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CC)n1
InChIInChI=1S/C10H14N2O3S/c1-3-8(13)12-10-11-7(6-16-10)5-9(14)15-4-2/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyHWOZHOYTOPPPKV-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.60
Rot. Bonds5

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

ethyl 2-[2-(propanoylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 732358) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is ethyl 2-[2-(propanoylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(propanoylamino)-1,3-thiazol-4-yl]acetate
PubChem CID732358
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Nameethyl 2-[2-(propanoylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CC)n1
InChIInChI=1S/C10H14N2O3S/c1-3-8(13)12-10-11-7(6-16-10)5-9(14)15-4-2/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyHWOZHOYTOPPPKV-UHFFFAOYSA-N
XLogP1.60
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-(propanoylamino)-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

Related Compounds

4-Thiazoleacetic acid, 2-amino-, ethyl ester
CID 104454
Methyl 2-(2-amino-1,3-thiazol-4-yl)acetate hydrochloride
CID 6602854
Ethyl 2-(2-chloroacetamido)-4-thiazoleacetate
CID 470180
Ethyl (alphaZ)-2-amino-alpha-(methoxyimino)-4-thiazoleacetate
CID 5582977
5-{[4-(2-Ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino}-5-oxopentanoic acid
CID 2814004
Ethyl {2-[(4-morpholinylacetyl)amino]-1,3-thiazol-4-yl}acetate
CID 6470921
Ethyl 2-[2-(3,3-dimethylbutanoylamino)-1,3-thiazol-4-yl]acetate
CID 3145085
Ethyl [2-(butanoylamino)-1,3-thiazol-4-yl]acetate
CID 2253148
Methyl 2-(2-amino-1,3-thiazol-4-yl)acetate
CID 738059
Ethyl 2-amino-alpha-(hydroxyimino)thiazol-4-acetate
CID 6401018
(Z)-Ethyl 2-(2-aminothiazol-4-yl)-2-(hydroxyimino)acetate
CID 6401017
Ethyl {2-[(2,2-dimethylpropanoyl)amino]-1,3-thiazol-4-yl}acetate
CID 732359

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(propanoylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(propanoylamino)-1,3-thiazol-4-yl]acetate (CID 732358) is ethyl 2-[2-(propanoylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(propanoylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(propanoylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)CC)n1.
What is the InChIKey of ethyl 2-[2-(propanoylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is HWOZHOYTOPPPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-3-8(13)12-10-11-7(6-16-10)5-9(14)15-4-2/h6H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of ethyl 2-[2-(propanoylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(propanoylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 242.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(propanoylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 732358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).