5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

C22H19BrFN3OS — CID 133180894

IUPAC5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESCCC1CSC2=NC(c3ccccn3)C(c3ccc(-c4ccc(F)cc4Br)o3)N21
InChIInChI=1S/C22H19BrFN3OS/c1-2-14-12-29-22-26-20(17-5-3-4-10-25-17)21(27(14)22)19-9-8-18(28-19)15-7-6-13(24)11-16(15)23/h3-11,14,20-21H,2,12H2,1H3
InChIKeyLQRRRUOEDFSSKU-UHFFFAOYSA-N
MW472.38 g/mol
LogP6.22
Rot. Bonds4

About 5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (PubChem CID 133180894) has the molecular formula C22H19BrFN3OS and a molecular weight of 472.38 g/mol. Its IUPAC name is 5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
PubChem CID133180894
Molecular FormulaC22H19BrFN3OS
Molecular Weight472.38 g/mol
Exact Mass471.04
IUPAC Name5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESCCC1CSC2=NC(c3ccccn3)C(c3ccc(-c4ccc(F)cc4Br)o3)N21
InChIInChI=1S/C22H19BrFN3OS/c1-2-14-12-29-22-26-20(17-5-3-4-10-25-17)21(27(14)22)19-9-8-18(28-19)15-7-6-13(24)11-16(15)23/h3-11,14,20-21H,2,12H2,1H3
InChIKeyLQRRRUOEDFSSKU-UHFFFAOYSA-N
XLogP6.22
TPSA41.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.38
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole with MolForge

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Related Compounds

(3R,5R,6S)-3-ethyl-5-[5-(4-fluorophenyl)furan-2-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125055168
(3R,5R,6R)-3-ethyl-5-(5-phenylfuran-2-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125053956
5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180898
(3R,5R,6R)-5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125054112
4-[5-[(3R,5R,6R)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]furan-2-yl]benzoic acid
CID 125056326
(3R,5S,6S)-5-(2-bromophenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125054773
(3R,5R,6S)-3-ethyl-5-[1-(4-fluorophenyl)pyrrol-2-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125050958
(3R,5R,6R)-3-ethyl-5-[1-(4-fluorophenyl)pyrrol-2-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125050957
3-ethyl-5-[1-(3-fluorophenyl)pyrrol-2-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180863
(3R,5S,6R)-3-ethyl-5-(2-methylphenyl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125056927
2-bromo-4-[(3R,5S,6R)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]-6-methoxyphenol
CID 125056023
5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-1-propan-2-yl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221824

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (CID 133180894) is 5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is CCC1CSC2=NC(c3ccccn3)C(c3ccc(-c4ccc(F)cc4Br)o3)N21.
What is the InChIKey of 5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is LQRRRUOEDFSSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrFN3OS/c1-2-14-12-29-22-26-20(17-5-3-4-10-25-17)21(27(14)22)19-9-8-18(28-19)15-7-6-13(24)11-16(15)23/h3-11,14,20-21H,2,12H2,1H3.
What are the key properties of 5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 472.38 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 133180894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).