5-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid

C12H16N2O5S — CID 2814004

IUPAC5-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid
SMILESCCOC(=O)Cc1csc(NC(=O)CCCC(=O)O)n1
InChIInChI=1S/C12H16N2O5S/c1-2-19-11(18)6-8-7-20-12(13-8)14-9(15)4-3-5-10(16)17/h7H,2-6H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyNRWSCKONKNJQCZ-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.44
Rot. Bonds8

About 5-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid

5-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid (PubChem CID 2814004) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is 5-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid
PubChem CID2814004
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name5-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid
SMILESCCOC(=O)Cc1csc(NC(=O)CCCC(=O)O)n1
InChIInChI=1S/C12H16N2O5S/c1-2-19-11(18)6-8-7-20-12(13-8)14-9(15)4-3-5-10(16)17/h7H,2-6H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyNRWSCKONKNJQCZ-UHFFFAOYSA-N
XLogP1.44
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid (CID 2814004) is 5-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid is CCOC(=O)Cc1csc(NC(=O)CCCC(=O)O)n1.
What is the InChIKey of 5-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid?
The InChIKey is NRWSCKONKNJQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-2-19-11(18)6-8-7-20-12(13-8)14-9(15)4-3-5-10(16)17/h7H,2-6H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 5-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid?
5-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid has a molecular weight of 300.34 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 2814004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).