6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole;6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole

C47H34Cl3FN8S4 — CID 167648789

IUPAC6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole;6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1cn2cc(-c3ccc(Cl)cc3)nc2s1.Cc1cn2cc(-c3ccc(F)cc3)nc2s1.Cc1csc2nc(-c3ccc(Cl)cc3)cn12.Clc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/2C12H9ClN2S.C12H9FN2S.C11H7ClN2S/c1-8-7-16-12-14-11(6-15(8)12)9-2-4-10(13)5-3-9;2*1-8-6-15-7-11(14-12(15)16-8)9-2-4-10(13)5-3-9;12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10/h3*2-7H,1H3;1-7H
InChIKeyQGQOWFKCZHPVDT-UHFFFAOYSA-N
MW964.47 g/mol
LogP15.28
Rot. Bonds4

About 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole;6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole

6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole;6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole (PubChem CID 167648789) has the molecular formula C47H34Cl3FN8S4 and a molecular weight of 964.47 g/mol. Its IUPAC name is 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole;6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole;6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole
PubChem CID167648789
Molecular FormulaC47H34Cl3FN8S4
Molecular Weight964.47 g/mol
Exact Mass962.08
IUPAC Name6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole;6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1cn2cc(-c3ccc(Cl)cc3)nc2s1.Cc1cn2cc(-c3ccc(F)cc3)nc2s1.Cc1csc2nc(-c3ccc(Cl)cc3)cn12.Clc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/2C12H9ClN2S.C12H9FN2S.C11H7ClN2S/c1-8-7-16-12-14-11(6-15(8)12)9-2-4-10(13)5-3-9;2*1-8-6-15-7-11(14-12(15)16-8)9-2-4-10(13)5-3-9;12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10/h3*2-7H,1H3;1-7H
InChIKeyQGQOWFKCZHPVDT-UHFFFAOYSA-N
XLogP15.28
TPSA69.20 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500964.47
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole;6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole;6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole;6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole (CID 167648789) is 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole;6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole;6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole;6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole is Cc1cn2cc(-c3ccc(Cl)cc3)nc2s1.Cc1cn2cc(-c3ccc(F)cc3)nc2s1.Cc1csc2nc(-c3ccc(Cl)cc3)cn12.Clc1ccc(-c2cn3ccsc3n2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole;6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole?
The InChIKey is QGQOWFKCZHPVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H9ClN2S.C12H9FN2S.C11H7ClN2S/c1-8-7-16-12-14-11(6-15(8)12)9-2-4-10(13)5-3-9;2*1-8-6-15-7-11(14-12(15)16-8)9-2-4-10(13)5-3-9;12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10/h3*2-7H,1H3;1-7H.
What are the key properties of 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole;6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole?
6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole;6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole has a molecular weight of 964.47 g/mol, XLogP of 15.28, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole;6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 167648789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).