(2Z)-2-imidazo[2,1-b][1,3]thiazol-6-yl-2-methoxyiminoacetic acid

C8H7N3O3S — CID 6374361

IUPAC(2Z)-2-imidazo[2,1-b][1,3]thiazol-6-yl-2-methoxyiminoacetic acid
SMILESCO/N=C(\C(=O)O)c1cn2ccsc2n1
InChIInChI=1S/C8H7N3O3S/c1-14-10-6(7(12)13)5-4-11-2-3-15-8(11)9-5/h2-4H,1H3,(H,12,13)/b10-6-
InChIKeyFBSRQGPEZQJHDL-POHAHGRESA-N
MW225.23 g/mol
LogP0.83
Rot. Bonds3

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

(2Z)-2-imidazo[2,1-b][1,3]thiazol-6-yl-2-methoxyiminoacetic acid (PubChem CID 6374361) has the molecular formula C8H7N3O3S and a molecular weight of 225.23 g/mol. Its IUPAC name is (2Z)-2-imidazo[2,1-b][1,3]thiazol-6-yl-2-methoxyiminoacetic acid.

Molecular Properties

Compound Name(2Z)-2-imidazo[2,1-b][1,3]thiazol-6-yl-2-methoxyiminoacetic acid
PubChem CID6374361
Molecular FormulaC8H7N3O3S
Molecular Weight225.23 g/mol
Exact Mass225.02
IUPAC Name(2Z)-2-imidazo[2,1-b][1,3]thiazol-6-yl-2-methoxyiminoacetic acid
SMILESCO/N=C(\C(=O)O)c1cn2ccsc2n1
InChIInChI=1S/C8H7N3O3S/c1-14-10-6(7(12)13)5-4-11-2-3-15-8(11)9-5/h2-4H,1H3,(H,12,13)/b10-6-
InChIKeyFBSRQGPEZQJHDL-POHAHGRESA-N
XLogP0.83
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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-imidazo[2,1-b][1,3]thiazol-6-yl-2-methoxyiminoacetic acid?
The IUPAC name of (2Z)-2-imidazo[2,1-b][1,3]thiazol-6-yl-2-methoxyiminoacetic acid (CID 6374361) is (2Z)-2-imidazo[2,1-b][1,3]thiazol-6-yl-2-methoxyiminoacetic acid.
What is the SMILES notation for (2Z)-2-imidazo[2,1-b][1,3]thiazol-6-yl-2-methoxyiminoacetic acid?
The canonical SMILES for (2Z)-2-imidazo[2,1-b][1,3]thiazol-6-yl-2-methoxyiminoacetic acid is CO/N=C(\C(=O)O)c1cn2ccsc2n1.
What is the InChIKey of (2Z)-2-imidazo[2,1-b][1,3]thiazol-6-yl-2-methoxyiminoacetic acid?
The InChIKey is FBSRQGPEZQJHDL-POHAHGRESA-N. The full InChI is InChI=1S/C8H7N3O3S/c1-14-10-6(7(12)13)5-4-11-2-3-15-8(11)9-5/h2-4H,1H3,(H,12,13)/b10-6-.
What are the key properties of (2Z)-2-imidazo[2,1-b][1,3]thiazol-6-yl-2-methoxyiminoacetic acid?
(2Z)-2-imidazo[2,1-b][1,3]thiazol-6-yl-2-methoxyiminoacetic acid has a molecular weight of 225.23 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-imidazo[2,1-b][1,3]thiazol-6-yl-2-methoxyiminoacetic acid is sourced from PubChem (CID 6374361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).