2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetic acid

C8H7N3O2S — CID 22379906

IUPAC2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccnc1-c1nccs1
InChIInChI=1S/C8H7N3O2S/c12-6(13)5-11-3-1-9-7(11)8-10-2-4-14-8/h1-4H,5H2,(H,12,13)
InChIKeyUILCTSOQMRZUDJ-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.09
Rot. Bonds3

About 2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetic acid

2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetic acid (PubChem CID 22379906) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetic acid
PubChem CID22379906
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccnc1-c1nccs1
InChIInChI=1S/C8H7N3O2S/c12-6(13)5-11-3-1-9-7(11)8-10-2-4-14-8/h1-4H,5H2,(H,12,13)
InChIKeyUILCTSOQMRZUDJ-UHFFFAOYSA-N
XLogP1.09
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetic acid (CID 22379906) is 2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetic acid is O=C(O)Cn1ccnc1-c1nccs1.
What is the InChIKey of 2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetic acid?
The InChIKey is UILCTSOQMRZUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c12-6(13)5-11-3-1-9-7(11)8-10-2-4-14-8/h1-4H,5H2,(H,12,13).
What are the key properties of 2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetic acid?
2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetic acid has a molecular weight of 209.23 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]acetic acid is sourced from PubChem (CID 22379906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).