(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

C21H25N3O3S — CID 125052687

IUPAC(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
SMILESCC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(OC)c(OC)cc3OC)N21
InChIInChI=1S/C21H25N3O3S/c1-5-13-12-28-21-23-19(15-8-6-7-9-22-15)20(24(13)21)14-10-17(26-3)18(27-4)11-16(14)25-2/h6-11,13,19-20H,5,12H2,1-4H3/t13-,19-,20+/m1/s1
InChIKeyHSLHXOZSUAVIEN-GBLZOACLSA-N
MW399.52 g/mol
LogP4.09
Rot. Bonds6

About (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

(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 (PubChem CID 125052687) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID125052687
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name(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
SMILESCC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(OC)c(OC)cc3OC)N21
InChIInChI=1S/C21H25N3O3S/c1-5-13-12-28-21-23-19(15-8-6-7-9-22-15)20(24(13)21)14-10-17(26-3)18(27-4)11-16(14)25-2/h6-11,13,19-20H,5,12H2,1-4H3/t13-,19-,20+/m1/s1
InChIKeyHSLHXOZSUAVIEN-GBLZOACLSA-N
XLogP4.09
TPSA56.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

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
(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
(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
(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-(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)-5-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125053323
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)-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 125051506

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(OC)c(OC)cc3OC)N21.
What is the InChIKey of (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?
The InChIKey is HSLHXOZSUAVIEN-GBLZOACLSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-5-13-12-28-21-23-19(15-8-6-7-9-22-15)20(24(13)21)14-10-17(26-3)18(27-4)11-16(14)25-2/h6-11,13,19-20H,5,12H2,1-4H3/t13-,19-,20+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 399.52 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 125052687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).