ethyl 2-acetamido-2-(2-oxo-3H-1,3-thiazol-4-yl)acetate

C9H12N2O4S — CID 15137541

IUPACethyl 2-acetamido-2-(2-oxo-3H-1,3-thiazol-4-yl)acetate
SMILESCCOC(=O)C(NC(C)=O)c1csc(=O)[nH]1
InChIInChI=1S/C9H12N2O4S/c1-3-15-8(13)7(10-5(2)12)6-4-16-9(14)11-6/h4,7H,3H2,1-2H3,(H,10,12)(H,11,14)
InChIKeyALHBURWRBSPWJX-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.18
Rot. Bonds4

About ethyl 2-acetamido-2-(2-oxo-3H-1,3-thiazol-4-yl)acetate

ethyl 2-acetamido-2-(2-oxo-3H-1,3-thiazol-4-yl)acetate (PubChem CID 15137541) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is ethyl 2-acetamido-2-(2-oxo-3H-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-acetamido-2-(2-oxo-3H-1,3-thiazol-4-yl)acetate
PubChem CID15137541
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Nameethyl 2-acetamido-2-(2-oxo-3H-1,3-thiazol-4-yl)acetate
SMILESCCOC(=O)C(NC(C)=O)c1csc(=O)[nH]1
InChIInChI=1S/C9H12N2O4S/c1-3-15-8(13)7(10-5(2)12)6-4-16-9(14)11-6/h4,7H,3H2,1-2H3,(H,10,12)(H,11,14)
InChIKeyALHBURWRBSPWJX-UHFFFAOYSA-N
XLogP0.18
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-2-(2-oxo-3H-1,3-thiazol-4-yl)acetate?
The IUPAC name of ethyl 2-acetamido-2-(2-oxo-3H-1,3-thiazol-4-yl)acetate (CID 15137541) is ethyl 2-acetamido-2-(2-oxo-3H-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-acetamido-2-(2-oxo-3H-1,3-thiazol-4-yl)acetate?
The canonical SMILES for ethyl 2-acetamido-2-(2-oxo-3H-1,3-thiazol-4-yl)acetate is CCOC(=O)C(NC(C)=O)c1csc(=O)[nH]1.
What is the InChIKey of ethyl 2-acetamido-2-(2-oxo-3H-1,3-thiazol-4-yl)acetate?
The InChIKey is ALHBURWRBSPWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-3-15-8(13)7(10-5(2)12)6-4-16-9(14)11-6/h4,7H,3H2,1-2H3,(H,10,12)(H,11,14).
What are the key properties of ethyl 2-acetamido-2-(2-oxo-3H-1,3-thiazol-4-yl)acetate?
ethyl 2-acetamido-2-(2-oxo-3H-1,3-thiazol-4-yl)acetate has a molecular weight of 244.27 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-2-(2-oxo-3H-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 15137541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).