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

C13H13ClN2O4S — CID 76852678

IUPAC6-(4-chlorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid
SMILESClc1ccc(C2CN3CCSC3=N2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C11H11ClN2S.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)
InChIKeyIGPWGCGGWLZRHC-UHFFFAOYSA-N
MW328.78 g/mol
LogP1.96
Rot. Bonds1

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

6-(4-chlorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid (PubChem CID 76852678) has the molecular formula C13H13ClN2O4S and a molecular weight of 328.78 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid
PubChem CID76852678
Molecular FormulaC13H13ClN2O4S
Molecular Weight328.78 g/mol
Exact Mass328.03
IUPAC Name6-(4-chlorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid
SMILESClc1ccc(C2CN3CCSC3=N2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C11H11ClN2S.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)
InChIKeyIGPWGCGGWLZRHC-UHFFFAOYSA-N
XLogP1.96
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(4-Methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid
CID 90671955
Imidazo[2,1-b]thiazole, 5,6-dihydro-6-phenyl-, ethanedioate (1:1)
CID 320231
Oxalic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 90671952
6-(3-Methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid
CID 12355528
6-(4-Fluorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid
CID 90671953
6-(4-Chlorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 76852679
2-[3-(4-Chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 5141995
2-hydroxyacetic acid;(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 70493192
acetic acid;(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 71421477
3-(4-Chlorophenyl)-5,6-dihydroimidazo(2,1-B)thiazole-2-acetic acid hydrobromide
CID 12281832
2-[3-(4-Chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid;hydron;bromide
CID 51062771
Acetic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 71331973

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid?
The IUPAC name of 6-(4-chlorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid (CID 76852678) is 6-(4-chlorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid.
What is the SMILES notation for 6-(4-chlorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid?
The canonical SMILES for 6-(4-chlorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid is Clc1ccc(C2CN3CCSC3=N2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 6-(4-chlorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid?
The InChIKey is IGPWGCGGWLZRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S.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-chlorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid?
6-(4-chlorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid has a molecular weight of 328.78 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid is sourced from PubChem (CID 76852678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).