5-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]benzene-1,3-dicarboxylic acid

C15H12N2O7S — CID 165111908

IUPAC5-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]benzene-1,3-dicarboxylic acid
SMILESCC(=O)Oc1csc(N(C(C)=O)c2cc(C(=O)O)cc(C(=O)O)c2)n1
InChIInChI=1S/C15H12N2O7S/c1-7(18)17(15-16-12(6-25-15)24-8(2)19)11-4-9(13(20)21)3-10(5-11)14(22)23/h3-6H,1-2H3,(H,20,21)(H,22,23)
InChIKeyZWNYVORRKWLXNJ-UHFFFAOYSA-N
MW364.34 g/mol
LogP2.15
Rot. Bonds5

About 5-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]benzene-1,3-dicarboxylic acid

5-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]benzene-1,3-dicarboxylic acid (PubChem CID 165111908) has the molecular formula C15H12N2O7S and a molecular weight of 364.34 g/mol. Its IUPAC name is 5-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]benzene-1,3-dicarboxylic acid
PubChem CID165111908
Molecular FormulaC15H12N2O7S
Molecular Weight364.34 g/mol
Exact Mass364.04
IUPAC Name5-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]benzene-1,3-dicarboxylic acid
SMILESCC(=O)Oc1csc(N(C(C)=O)c2cc(C(=O)O)cc(C(=O)O)c2)n1
InChIInChI=1S/C15H12N2O7S/c1-7(18)17(15-16-12(6-25-15)24-8(2)19)11-4-9(13(20)21)3-10(5-11)14(22)23/h3-6H,1-2H3,(H,20,21)(H,22,23)
InChIKeyZWNYVORRKWLXNJ-UHFFFAOYSA-N
XLogP2.15
TPSA134.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]benzene-1,3-dicarboxylic acid (CID 165111908) is 5-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]benzene-1,3-dicarboxylic acid is CC(=O)Oc1csc(N(C(C)=O)c2cc(C(=O)O)cc(C(=O)O)c2)n1.
What is the InChIKey of 5-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]benzene-1,3-dicarboxylic acid?
The InChIKey is ZWNYVORRKWLXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O7S/c1-7(18)17(15-16-12(6-25-15)24-8(2)19)11-4-9(13(20)21)3-10(5-11)14(22)23/h3-6H,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 5-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]benzene-1,3-dicarboxylic acid?
5-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]benzene-1,3-dicarboxylic acid has a molecular weight of 364.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 165111908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).