2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid

C9H12N2O4S — CID 115423658

IUPAC2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCCOC(=O)CNc1nc(C(=O)O)c(C)s1
InChIInChI=1S/C9H12N2O4S/c1-3-15-6(12)4-10-9-11-7(8(13)14)5(2)16-9/h3-4H2,1-2H3,(H,10,11)(H,13,14)
InChIKeyJZXOOSLIVWNINU-UHFFFAOYSA-N
MW244.27 g/mol
LogP1.12
Rot. Bonds5

About 2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid

2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 115423658) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID115423658
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCCOC(=O)CNc1nc(C(=O)O)c(C)s1
InChIInChI=1S/C9H12N2O4S/c1-3-15-6(12)4-10-9-11-7(8(13)14)5(2)16-9/h3-4H2,1-2H3,(H,10,11)(H,13,14)
InChIKeyJZXOOSLIVWNINU-UHFFFAOYSA-N
XLogP1.12
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid (CID 115423658) is 2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid is CCOC(=O)CNc1nc(C(=O)O)c(C)s1.
What is the InChIKey of 2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is JZXOOSLIVWNINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-3-15-6(12)4-10-9-11-7(8(13)14)5(2)16-9/h3-4H2,1-2H3,(H,10,11)(H,13,14).
What are the key properties of 2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid?
2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 244.27 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115423658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).