(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

C19H20ClN3O2S — CID 125055176

IUPAC(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
SMILESCOc1cc(Cl)c([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1OC
InChIInChI=1S/C19H20ClN3O2S/c1-11-10-23-18(12-8-15(24-2)16(25-3)9-13(12)20)17(22-19(23)26-11)14-6-4-5-7-21-14/h4-9,11,17-18H,10H2,1-3H3/t11-,17-,18-/m1/s1
InChIKeyOEGBNFGSZGMKFW-HWOJHCLVSA-N
MW389.91 g/mol
LogP4.34
Rot. Bonds4

About (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

(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 (PubChem CID 125055176) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID125055176
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC Name(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
SMILESCOc1cc(Cl)c([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1OC
InChIInChI=1S/C19H20ClN3O2S/c1-11-10-23-18(12-8-15(24-2)16(25-3)9-13(12)20)17(22-19(23)26-11)14-6-4-5-7-21-14/h4-9,11,17-18H,10H2,1-3H3/t11-,17-,18-/m1/s1
InChIKeyOEGBNFGSZGMKFW-HWOJHCLVSA-N
XLogP4.34
TPSA46.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,4-dimethoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180354
(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
(2R,5R,6S)-5-(2,3-dimethoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125056563
(2R,5R,6S)-5-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125056571
4-[2,5-dimethoxy-4-[(2R,5R,6S)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenyl]morpholine
CID 125054108
N,N-diethyl-3-methoxy-4-[(2R,5R,6R)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]aniline
CID 125051389
(2R,5R,6S)-5-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125056317
(5R,6R)-5-(4-methoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 54776415
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
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
5-[1-(5-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180553
(2R,5R,6S)-5-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125053376

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1cc(Cl)c([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1OC.
What is the InChIKey of (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?
The InChIKey is OEGBNFGSZGMKFW-HWOJHCLVSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-11-10-23-18(12-8-15(24-2)16(25-3)9-13(12)20)17(22-19(23)26-11)14-6-4-5-7-21-14/h4-9,11,17-18H,10H2,1-3H3/t11-,17-,18-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 389.91 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 125055176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).