2-(2-benzoylimino-1,3-thiazol-3-yl)acetic acid

C12H10N2O3S — CID 10730180

IUPAC2-(2-benzoylimino-1,3-thiazol-3-yl)acetic acid
SMILESO=C(O)Cn1ccs/c1=N/C(=O)c1ccccc1
InChIInChI=1S/C12H10N2O3S/c15-10(16)8-14-6-7-18-12(14)13-11(17)9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)/b13-12+
InChIKeyAXKCJAPVACVZME-OUKQBFOZSA-N
MW262.29 g/mol
LogP1.38
Rot. Bonds3

About 2-(2-benzoylimino-1,3-thiazol-3-yl)acetic acid

2-(2-benzoylimino-1,3-thiazol-3-yl)acetic acid (PubChem CID 10730180) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-(2-benzoylimino-1,3-thiazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-benzoylimino-1,3-thiazol-3-yl)acetic acid
PubChem CID10730180
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name2-(2-benzoylimino-1,3-thiazol-3-yl)acetic acid
SMILESO=C(O)Cn1ccs/c1=N/C(=O)c1ccccc1
InChIInChI=1S/C12H10N2O3S/c15-10(16)8-14-6-7-18-12(14)13-11(17)9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)/b13-12+
InChIKeyAXKCJAPVACVZME-OUKQBFOZSA-N
XLogP1.38
TPSA71.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoylimino-1,3-thiazol-3-yl)acetic acid?
The IUPAC name of 2-(2-benzoylimino-1,3-thiazol-3-yl)acetic acid (CID 10730180) is 2-(2-benzoylimino-1,3-thiazol-3-yl)acetic acid.
What is the SMILES notation for 2-(2-benzoylimino-1,3-thiazol-3-yl)acetic acid?
The canonical SMILES for 2-(2-benzoylimino-1,3-thiazol-3-yl)acetic acid is O=C(O)Cn1ccs/c1=N/C(=O)c1ccccc1.
What is the InChIKey of 2-(2-benzoylimino-1,3-thiazol-3-yl)acetic acid?
The InChIKey is AXKCJAPVACVZME-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H10N2O3S/c15-10(16)8-14-6-7-18-12(14)13-11(17)9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)/b13-12+.
What are the key properties of 2-(2-benzoylimino-1,3-thiazol-3-yl)acetic acid?
2-(2-benzoylimino-1,3-thiazol-3-yl)acetic acid has a molecular weight of 262.29 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylimino-1,3-thiazol-3-yl)acetic acid is sourced from PubChem (CID 10730180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).