2-bromo-6-ethoxy-4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)phenol

C19H20BrN3O2S — CID 133180407

IUPAC2-bromo-6-ethoxy-4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)phenol
SMILESCCOc1cc(C2C(c3ccccn3)N=C3SC(C)CN32)cc(Br)c1O
InChIInChI=1S/C19H20BrN3O2S/c1-3-25-15-9-12(8-13(20)18(15)24)17-16(14-6-4-5-7-21-14)22-19-23(17)10-11(2)26-19/h4-9,11,16-17,24H,3,10H2,1-2H3
InChIKeyUMAQSFPYIIQMLX-UHFFFAOYSA-N
MW434.36 g/mol
LogP4.54
Rot. Bonds4

About 2-bromo-6-ethoxy-4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)phenol

2-bromo-6-ethoxy-4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)phenol (PubChem CID 133180407) has the molecular formula C19H20BrN3O2S and a molecular weight of 434.36 g/mol. Its IUPAC name is 2-bromo-6-ethoxy-4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)phenol.

Molecular Properties

Compound Name2-bromo-6-ethoxy-4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)phenol
PubChem CID133180407
Molecular FormulaC19H20BrN3O2S
Molecular Weight434.36 g/mol
Exact Mass433.05
IUPAC Name2-bromo-6-ethoxy-4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)phenol
SMILESCCOc1cc(C2C(c3ccccn3)N=C3SC(C)CN32)cc(Br)c1O
InChIInChI=1S/C19H20BrN3O2S/c1-3-25-15-9-12(8-13(20)18(15)24)17-16(14-6-4-5-7-21-14)22-19-23(17)10-11(2)26-19/h4-9,11,16-17,24H,3,10H2,1-2H3
InChIKeyUMAQSFPYIIQMLX-UHFFFAOYSA-N
XLogP4.54
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.36
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-6-methoxy-4-[(2R,5R,6R)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenol
CID 125053422
(2R,5R,6S)-5-(3-bromo-4-ethoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125055606
(2R,5R,6S)-5-(3-bromo-4-propan-2-yloxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125051484
(2R,5R,6R)-5-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125052645
(2R,5R,6R)-5-(4-fluorophenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125053426
(2R,5R,6R)-5-(5-bromo-2-methoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125056559
5-(1-ethyl-5-methylpyrrol-2-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180613
(2R,5S,6R)-5-[1-(4-ethoxyphenyl)pyrrol-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125053361
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
4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-2-nitrophenol
CID 133180381
(2R,5R,6R)-2-methyl-5-(6-propoxy-1,3-benzodioxol-5-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125052786
(2R,5R,6R)-2-methyl-5-(1-phenylpyrrol-3-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125051387

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-ethoxy-4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)phenol?
The IUPAC name of 2-bromo-6-ethoxy-4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)phenol (CID 133180407) is 2-bromo-6-ethoxy-4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)phenol.
What is the SMILES notation for 2-bromo-6-ethoxy-4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)phenol?
The canonical SMILES for 2-bromo-6-ethoxy-4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)phenol is CCOc1cc(C2C(c3ccccn3)N=C3SC(C)CN32)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-ethoxy-4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)phenol?
The InChIKey is UMAQSFPYIIQMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O2S/c1-3-25-15-9-12(8-13(20)18(15)24)17-16(14-6-4-5-7-21-14)22-19-23(17)10-11(2)26-19/h4-9,11,16-17,24H,3,10H2,1-2H3.
What are the key properties of 2-bromo-6-ethoxy-4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)phenol?
2-bromo-6-ethoxy-4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)phenol has a molecular weight of 434.36 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-ethoxy-4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)phenol is sourced from PubChem (CID 133180407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).