6-(4-fluorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid

C13H13FN2O4S — CID 90671953

IUPAC6-(4-fluorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid
SMILESFc1ccc(C2CN3CCSC3=N2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C11H11FN2S.C2H2O4/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10;3-1(4)2(5)6/h1-4,10H,5-7H2;(H,3,4)(H,5,6)
InChIKeyVGLUHJNBZZWRCD-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.44
Rot. Bonds1

About 6-(4-fluorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid

6-(4-fluorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid (PubChem CID 90671953) has the molecular formula C13H13FN2O4S and a molecular weight of 312.32 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid
PubChem CID90671953
Molecular FormulaC13H13FN2O4S
Molecular Weight312.32 g/mol
Exact Mass312.06
IUPAC Name6-(4-fluorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid
SMILESFc1ccc(C2CN3CCSC3=N2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C11H11FN2S.C2H2O4/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10;3-1(4)2(5)6/h1-4,10H,5-7H2;(H,3,4)(H,5,6)
InChIKeyVGLUHJNBZZWRCD-UHFFFAOYSA-N
XLogP1.44
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid?
The IUPAC name of 6-(4-fluorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid (CID 90671953) is 6-(4-fluorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid.
What is the SMILES notation for 6-(4-fluorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid?
The canonical SMILES for 6-(4-fluorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid is Fc1ccc(C2CN3CCSC3=N2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 6-(4-fluorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid?
The InChIKey is VGLUHJNBZZWRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S.C2H2O4/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10;3-1(4)2(5)6/h1-4,10H,5-7H2;(H,3,4)(H,5,6).
What are the key properties of 6-(4-fluorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid?
6-(4-fluorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid has a molecular weight of 312.32 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid is sourced from PubChem (CID 90671953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).