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

C14H16N2O4S — CID 90671955

IUPAC6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid
SMILESCc1ccc(C2CN3CCSC3=N2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C12H14N2S.C2H2O4/c1-9-2-4-10(5-3-9)11-8-14-6-7-15-12(14)13-11;3-1(4)2(5)6/h2-5,11H,6-8H2,1H3;(H,3,4)(H,5,6)
InChIKeyLDVFCMCOLHNRJM-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.61
Rot. Bonds1

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

6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid (PubChem CID 90671955) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid.

Molecular Properties

Compound Name6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid
PubChem CID90671955
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid
SMILESCc1ccc(C2CN3CCSC3=N2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C12H14N2S.C2H2O4/c1-9-2-4-10(5-3-9)11-8-14-6-7-15-12(14)13-11;3-1(4)2(5)6/h2-5,11H,6-8H2,1H3;(H,3,4)(H,5,6)
InChIKeyLDVFCMCOLHNRJM-UHFFFAOYSA-N
XLogP1.61
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.61
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-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid?
The IUPAC name of 6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid (CID 90671955) is 6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid.
What is the SMILES notation for 6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid?
The canonical SMILES for 6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid is Cc1ccc(C2CN3CCSC3=N2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid?
The InChIKey is LDVFCMCOLHNRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S.C2H2O4/c1-9-2-4-10(5-3-9)11-8-14-6-7-15-12(14)13-11;3-1(4)2(5)6/h2-5,11H,6-8H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid?
6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid has a molecular weight of 308.36 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid is sourced from PubChem (CID 90671955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).