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

C18H12ClFN2S — CID 15991411

IUPAC2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole
SMILESFc1ccc(-c2cn3cc(Cc4ccc(Cl)cc4)sc3n2)cc1
InChIInChI=1S/C18H12ClFN2S/c19-14-5-1-12(2-6-14)9-16-10-22-11-17(21-18(22)23-16)13-3-7-15(20)8-4-13/h1-8,10-11H,9H2
InChIKeyBHSWXQATABOUTG-UHFFFAOYSA-N
MW342.83 g/mol
LogP5.45
Rot. Bonds3

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

2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 15991411) has the molecular formula C18H12ClFN2S and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole
PubChem CID15991411
Molecular FormulaC18H12ClFN2S
Molecular Weight342.83 g/mol
Exact Mass342.04
IUPAC Name2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole
SMILESFc1ccc(-c2cn3cc(Cc4ccc(Cl)cc4)sc3n2)cc1
InChIInChI=1S/C18H12ClFN2S/c19-14-5-1-12(2-6-14)9-16-10-22-11-17(21-18(22)23-16)13-3-7-15(20)8-4-13/h1-8,10-11H,9H2
InChIKeyBHSWXQATABOUTG-UHFFFAOYSA-N
XLogP5.45
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.83
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-chlorophenyl)imidazo(2,1-b)(1,3)thiazole-5-carbaldehyde O-(3,4-dichlorobenzyl)oxime
CID 9600409
1-[6-(4-chlorophenyl)-5-imidazo[2,1-b]thiazolyl]-N-[(3,4-dichlorophenyl)methoxy]methanimine
CID 3751173
3-{Imidazo[2,1-b][1,3]thiazol-6-yl}aniline
CID 3312672
Pifithrin-Beta
CID 443278
4-[6-(4-Fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 44579300
6-(4-Chlorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole
CID 333033
2-Phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 760886
6-(3-Chlorophenyl)-2-methylimidazo(2,1-b)(1,3)thiazole
CID 868206
6-(4-Fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole
CID 19022684
4-[2-[(Dimethylamino)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 44579299
6-(4-Fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole
CID 44579351
3-(4-Chloro-phenyl)-1-(4-difluoromethylsulfanyl-phenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 12005569

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole (CID 15991411) is 2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole is Fc1ccc(-c2cn3cc(Cc4ccc(Cl)cc4)sc3n2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is BHSWXQATABOUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN2S/c19-14-5-1-12(2-6-14)9-16-10-22-11-17(21-18(22)23-16)13-3-7-15(20)8-4-13/h1-8,10-11H,9H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole?
2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 342.83 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 15991411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).