(2Z)-2-hydroxyimino-2-imidazo[2,1-b][1,3]thiazol-6-ylacetic acid

C7H5N3O3S — CID 6882303

IUPAC(2Z)-2-hydroxyimino-2-imidazo[2,1-b][1,3]thiazol-6-ylacetic acid
SMILESO=C(O)/C(=N\O)c1cn2ccsc2n1
InChIInChI=1S/C7H5N3O3S/c11-6(12)5(9-13)4-3-10-1-2-14-7(10)8-4/h1-3,13H,(H,11,12)/b9-5-
InChIKeyXFFUXCMVZSITGQ-UITAMQMPSA-N
MW211.20 g/mol
LogP0.66
Rot. Bonds2

About (2Z)-2-hydroxyimino-2-imidazo[2,1-b][1,3]thiazol-6-ylacetic acid

(2Z)-2-hydroxyimino-2-imidazo[2,1-b][1,3]thiazol-6-ylacetic acid (PubChem CID 6882303) has the molecular formula C7H5N3O3S and a molecular weight of 211.20 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-2-imidazo[2,1-b][1,3]thiazol-6-ylacetic acid.

Molecular Properties

Compound Name(2Z)-2-hydroxyimino-2-imidazo[2,1-b][1,3]thiazol-6-ylacetic acid
PubChem CID6882303
Molecular FormulaC7H5N3O3S
Molecular Weight211.20 g/mol
Exact Mass211.01
IUPAC Name(2Z)-2-hydroxyimino-2-imidazo[2,1-b][1,3]thiazol-6-ylacetic acid
SMILESO=C(O)/C(=N\O)c1cn2ccsc2n1
InChIInChI=1S/C7H5N3O3S/c11-6(12)5(9-13)4-3-10-1-2-14-7(10)8-4/h1-3,13H,(H,11,12)/b9-5-
InChIKeyXFFUXCMVZSITGQ-UITAMQMPSA-N
XLogP0.66
TPSA87.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hydroxyimino-2-imidazo[2,1-b][1,3]thiazol-6-ylacetic acid?
The IUPAC name of (2Z)-2-hydroxyimino-2-imidazo[2,1-b][1,3]thiazol-6-ylacetic acid (CID 6882303) is (2Z)-2-hydroxyimino-2-imidazo[2,1-b][1,3]thiazol-6-ylacetic acid.
What is the SMILES notation for (2Z)-2-hydroxyimino-2-imidazo[2,1-b][1,3]thiazol-6-ylacetic acid?
The canonical SMILES for (2Z)-2-hydroxyimino-2-imidazo[2,1-b][1,3]thiazol-6-ylacetic acid is O=C(O)/C(=N\O)c1cn2ccsc2n1.
What is the InChIKey of (2Z)-2-hydroxyimino-2-imidazo[2,1-b][1,3]thiazol-6-ylacetic acid?
The InChIKey is XFFUXCMVZSITGQ-UITAMQMPSA-N. The full InChI is InChI=1S/C7H5N3O3S/c11-6(12)5(9-13)4-3-10-1-2-14-7(10)8-4/h1-3,13H,(H,11,12)/b9-5-.
What are the key properties of (2Z)-2-hydroxyimino-2-imidazo[2,1-b][1,3]thiazol-6-ylacetic acid?
(2Z)-2-hydroxyimino-2-imidazo[2,1-b][1,3]thiazol-6-ylacetic acid has a molecular weight of 211.20 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyimino-2-imidazo[2,1-b][1,3]thiazol-6-ylacetic acid is sourced from PubChem (CID 6882303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).