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

C21H24BrN3O2S — CID 133180705

IUPAC5-(2-bromo-5-ethoxy-4-methoxyphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESCCOc1cc(C2C(c3ccccn3)N=C3SCC(CC)N32)c(Br)cc1OC
InChIInChI=1S/C21H24BrN3O2S/c1-4-13-12-28-21-24-19(16-8-6-7-9-23-16)20(25(13)21)14-10-18(27-5-2)17(26-3)11-15(14)22/h6-11,13,19-20H,4-5,12H2,1-3H3
InChIKeyDXTUEQPZDMTLHL-UHFFFAOYSA-N
MW462.41 g/mol
LogP5.23
Rot. Bonds6

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

5-(2-bromo-5-ethoxy-4-methoxyphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (PubChem CID 133180705) has the molecular formula C21H24BrN3O2S and a molecular weight of 462.41 g/mol. Its IUPAC name is 5-(2-bromo-5-ethoxy-4-methoxyphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(2-bromo-5-ethoxy-4-methoxyphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
PubChem CID133180705
Molecular FormulaC21H24BrN3O2S
Molecular Weight462.41 g/mol
Exact Mass461.08
IUPAC Name5-(2-bromo-5-ethoxy-4-methoxyphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESCCOc1cc(C2C(c3ccccn3)N=C3SCC(CC)N32)c(Br)cc1OC
InChIInChI=1S/C21H24BrN3O2S/c1-4-13-12-28-21-24-19(16-8-6-7-9-23-16)20(25(13)21)14-10-18(27-5-2)17(26-3)11-15(14)22/h6-11,13,19-20H,4-5,12H2,1-3H3
InChIKeyDXTUEQPZDMTLHL-UHFFFAOYSA-N
XLogP5.23
TPSA46.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.41
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(2-bromo-5-ethoxy-4-methoxyphenyl)-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,5S,6S)-3-ethyl-6-pyridin-2-yl-5-(2,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125052687
(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
5-chloro-2-ethoxy-4-[(3S,5R,6S)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenol
CID 125056899
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
(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
(3R,5S,6S)-5-(3-chloro-4,5-dimethoxyphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125051996
5-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180834
(3R,5S,6S)-5-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125050950
(3R,5S,6R)-3-ethyl-5-(3-methoxy-4-pyrrolidin-1-ylphenyl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125051894
(3R,5S,6R)-3-ethyl-5-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125054654
2-ethoxy-4-[(3S,5R,6S)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]-6-nitrophenol
CID 125051370
5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180776

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-5-ethoxy-4-methoxyphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(2-bromo-5-ethoxy-4-methoxyphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (CID 133180705) is 5-(2-bromo-5-ethoxy-4-methoxyphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(2-bromo-5-ethoxy-4-methoxyphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(2-bromo-5-ethoxy-4-methoxyphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is CCOc1cc(C2C(c3ccccn3)N=C3SCC(CC)N32)c(Br)cc1OC.
What is the InChIKey of 5-(2-bromo-5-ethoxy-4-methoxyphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is DXTUEQPZDMTLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O2S/c1-4-13-12-28-21-24-19(16-8-6-7-9-23-16)20(25(13)21)14-10-18(27-5-2)17(26-3)11-15(14)22/h6-11,13,19-20H,4-5,12H2,1-3H3.
What are the key properties of 5-(2-bromo-5-ethoxy-4-methoxyphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
5-(2-bromo-5-ethoxy-4-methoxyphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 462.41 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-5-ethoxy-4-methoxyphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 133180705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).