2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-benzothiazole

C18H10FN3S2 — CID 132527612

IUPAC2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-benzothiazole
SMILESFc1ccc(-c2nc3sccn3c2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C18H10FN3S2/c19-12-7-5-11(6-8-12)15-16(22-9-10-23-18(22)21-15)17-20-13-3-1-2-4-14(13)24-17/h1-10H
InChIKeyLVXBCGZGNPCCJF-UHFFFAOYSA-N
MW351.43 g/mol
LogP5.48
Rot. Bonds2

About 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-benzothiazole

2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-benzothiazole (PubChem CID 132527612) has the molecular formula C18H10FN3S2 and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-benzothiazole
PubChem CID132527612
Molecular FormulaC18H10FN3S2
Molecular Weight351.43 g/mol
Exact Mass351.03
IUPAC Name2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-benzothiazole
SMILESFc1ccc(-c2nc3sccn3c2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C18H10FN3S2/c19-12-7-5-11(6-8-12)15-16(22-9-10-23-18(22)21-15)17-20-13-3-1-2-4-14(13)24-17/h1-10H
InChIKeyLVXBCGZGNPCCJF-UHFFFAOYSA-N
XLogP5.48
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.43
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide
CID 55382582
2-[4-(4-fluorophenyl)sulfanylphenyl]-1,3-benzothiazole
CID 54671861
2-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole
CID 132527622
2-[4-(4-fluorophenyl)naphthalen-1-yl]-1,3-benzothiazole
CID 171056267
(1R)-2-[[4-amino-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-1-phenylethanol
CID 58541762
2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,3-diol
CID 58541773
2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 166850431
2-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]-1,3-benzothiazole bromide
CID 91680084
4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-N-(3-methylbutyl)benzene-1,2-diamine
CID 59457801
ethane;4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylpyrimidin-2-amine;pyrrolidine
CID 143219842
ethane;5-methyl-6-phenylimidazo[2,1-b][1,3]thiazole
CID 144628970
5-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole
CID 139191662

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-benzothiazole?
The IUPAC name of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-benzothiazole (CID 132527612) is 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-benzothiazole is Fc1ccc(-c2nc3sccn3c2-c2nc3ccccc3s2)cc1.
What is the InChIKey of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-benzothiazole?
The InChIKey is LVXBCGZGNPCCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10FN3S2/c19-12-7-5-11(6-8-12)15-16(22-9-10-23-18(22)21-15)17-20-13-3-1-2-4-14(13)24-17/h1-10H.
What are the key properties of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-benzothiazole?
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-benzothiazole has a molecular weight of 351.43 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-benzothiazole is sourced from PubChem (CID 132527612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).