(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

C20H22BrN3OS — CID 125051484

IUPAC(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
SMILESCC(C)Oc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1Br
InChIInChI=1S/C20H22BrN3OS/c1-12(2)25-17-8-7-14(10-15(17)21)19-18(16-6-4-5-9-22-16)23-20-24(19)11-13(3)26-20/h4-10,12-13,18-19H,11H2,1-3H3/t13-,18-,19-/m1/s1
InChIKeyDDZAAXPGHQTUCB-UPRAQXHNSA-N
MW432.39 g/mol
LogP5.22
Rot. Bonds4

About (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

(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 (PubChem CID 125051484) has the molecular formula C20H22BrN3OS and a molecular weight of 432.39 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID125051484
Molecular FormulaC20H22BrN3OS
Molecular Weight432.39 g/mol
Exact Mass431.07
IUPAC Name(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
SMILESCC(C)Oc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1Br
InChIInChI=1S/C20H22BrN3OS/c1-12(2)25-17-8-7-14(10-15(17)21)19-18(16-6-4-5-9-22-16)23-20-24(19)11-13(3)26-20/h4-10,12-13,18-19H,11H2,1-3H3/t13-,18-,19-/m1/s1
InChIKeyDDZAAXPGHQTUCB-UPRAQXHNSA-N
XLogP5.22
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.39
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

(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,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
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
(5R,6R)-5-(4-methoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 54776415
(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)-2-methyl-5-(1-propan-2-ylpyrrol-3-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125050928
5-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180619
(2R,5R,6R)-5-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125056030
2-methyl-5-(4-piperidin-1-ylphenyl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180510
4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-2-nitrophenol
CID 133180381
5-(3-fluoro-4-piperidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180511
(2R,5R,6S)-5-(2-chloro-4,5-dimethoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125055176

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)Oc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1Br.
What is the InChIKey of (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?
The InChIKey is DDZAAXPGHQTUCB-UPRAQXHNSA-N. The full InChI is InChI=1S/C20H22BrN3OS/c1-12(2)25-17-8-7-14(10-15(17)21)19-18(16-6-4-5-9-22-16)23-20-24(19)11-13(3)26-20/h4-10,12-13,18-19H,11H2,1-3H3/t13-,18-,19-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 432.39 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 125051484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).