oxalic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

C13H14N2O4S — CID 90671952

IUPACoxalic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESO=C(O)C(=O)O.c1ccc(C2CN3CCSC3=N2)cc1
InChIInChI=1S/C11H12N2S.C2H2O4/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;3-1(4)2(5)6/h1-5,10H,6-8H2;(H,3,4)(H,5,6)
InChIKeyPNOWXLDNJAKKPE-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.30
Rot. Bonds1

About oxalic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

oxalic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (PubChem CID 90671952) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is oxalic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Nameoxalic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
PubChem CID90671952
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Nameoxalic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESO=C(O)C(=O)O.c1ccc(C2CN3CCSC3=N2)cc1
InChIInChI=1S/C11H12N2S.C2H2O4/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;3-1(4)2(5)6/h1-5,10H,6-8H2;(H,3,4)(H,5,6)
InChIKeyPNOWXLDNJAKKPE-UHFFFAOYSA-N
XLogP1.30
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.30
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 oxalic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of oxalic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (CID 90671952) is oxalic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for oxalic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for oxalic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is O=C(O)C(=O)O.c1ccc(C2CN3CCSC3=N2)cc1.
What is the InChIKey of oxalic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is PNOWXLDNJAKKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S.C2H2O4/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;3-1(4)2(5)6/h1-5,10H,6-8H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
oxalic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 294.33 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 90671952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).