ethyl 2-(3-acetamido-1,2-dihydroxypropyl)-1,3-thiazole-5-carboxylate

C11H16N2O5S — CID 170830493

IUPACethyl 2-(3-acetamido-1,2-dihydroxypropyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(C(O)C(O)CNC(C)=O)s1
InChIInChI=1S/C11H16N2O5S/c1-3-18-11(17)8-5-13-10(19-8)9(16)7(15)4-12-6(2)14/h5,7,9,15-16H,3-4H2,1-2H3,(H,12,14)
InChIKeyFQRKZWOGZOMJIA-UHFFFAOYSA-N
MW288.33 g/mol
LogP-0.15
Rot. Bonds6

About ethyl 2-(3-acetamido-1,2-dihydroxypropyl)-1,3-thiazole-5-carboxylate

ethyl 2-(3-acetamido-1,2-dihydroxypropyl)-1,3-thiazole-5-carboxylate (PubChem CID 170830493) has the molecular formula C11H16N2O5S and a molecular weight of 288.33 g/mol. Its IUPAC name is ethyl 2-(3-acetamido-1,2-dihydroxypropyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-acetamido-1,2-dihydroxypropyl)-1,3-thiazole-5-carboxylate
PubChem CID170830493
Molecular FormulaC11H16N2O5S
Molecular Weight288.33 g/mol
Exact Mass288.08
IUPAC Nameethyl 2-(3-acetamido-1,2-dihydroxypropyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(C(O)C(O)CNC(C)=O)s1
InChIInChI=1S/C11H16N2O5S/c1-3-18-11(17)8-5-13-10(19-8)9(16)7(15)4-12-6(2)14/h5,7,9,15-16H,3-4H2,1-2H3,(H,12,14)
InChIKeyFQRKZWOGZOMJIA-UHFFFAOYSA-N
XLogP-0.15
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethyl 2-(3-acetamido-1,2-dihydroxypropyl)-1,3-thiazole-5-carboxylate 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

ethyl 5-(3-acetamido-1,2-dihydroxypropyl)-1H-pyrrole-2-carboxylate
CID 170831399
ethyl 2-methyl-1,3-thiazole-5-carboxylate
CID 12808791
2-[1,2-dihydroxy-3-(methylamino)propyl]-1,3-thiazole-5-carboxylic acid
CID 171857713
tert-butyl N-[2,3-dihydroxy-3-(5-methyl-1,3-thiazol-2-yl)propyl]carbamate
CID 170831524
N-[2,3-dihydroxy-3-(6-methyl-3-pyridinyl)propyl]acetamide
CID 170829544
ethyl 2-[4-(3-acetamido-1,2-dihydroxypropyl)phenoxy]acetate
CID 170831267
methyl 2-(4-azido-1,2-dihydroxybutyl)-1,3-thiazole-5-carboxylate
CID 171879551
N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide
CID 170829458
N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydroxypropyl]acetamide
CID 170829536
ethyl 2-ethylsulfanyl-1,3-thiazole-5-carboxylate
CID 173319674
ethane;ethyl 2-(3-oxopropyl)-1,3-thiazole-5-carboxylate
CID 145400595
ethyl 2-[4-(3-acetamido-1,2-dihydroxypropyl)phenyl]acetate
CID 170830919

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-acetamido-1,2-dihydroxypropyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(3-acetamido-1,2-dihydroxypropyl)-1,3-thiazole-5-carboxylate (CID 170830493) is ethyl 2-(3-acetamido-1,2-dihydroxypropyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(3-acetamido-1,2-dihydroxypropyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(3-acetamido-1,2-dihydroxypropyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(C(O)C(O)CNC(C)=O)s1.
What is the InChIKey of ethyl 2-(3-acetamido-1,2-dihydroxypropyl)-1,3-thiazole-5-carboxylate?
The InChIKey is FQRKZWOGZOMJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-3-18-11(17)8-5-13-10(19-8)9(16)7(15)4-12-6(2)14/h5,7,9,15-16H,3-4H2,1-2H3,(H,12,14).
What are the key properties of ethyl 2-(3-acetamido-1,2-dihydroxypropyl)-1,3-thiazole-5-carboxylate?
ethyl 2-(3-acetamido-1,2-dihydroxypropyl)-1,3-thiazole-5-carboxylate has a molecular weight of 288.33 g/mol, XLogP of -0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-acetamido-1,2-dihydroxypropyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 170830493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).