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

C20H22ClN3O2S — CID 125056899

IUPAC5-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
SMILESCCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@H](CC)N32)c(Cl)cc1O
InChIInChI=1S/C20H22ClN3O2S/c1-3-12-11-27-20-23-18(15-7-5-6-8-22-15)19(24(12)20)13-9-17(26-4-2)16(25)10-14(13)21/h5-10,12,18-19,25H,3-4,11H2,1-2H3/t12-,18+,19+/m0/s1
InChIKeyZLXDCLUODYGBPT-GESALYCCSA-N
MW403.94 g/mol
LogP4.82
Rot. Bonds5

About 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

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 (PubChem CID 125056899) has the molecular formula C20H22ClN3O2S and a molecular weight of 403.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID125056899
Molecular FormulaC20H22ClN3O2S
Molecular Weight403.94 g/mol
Exact Mass403.11
IUPAC Name5-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
SMILESCCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@H](CC)N32)c(Cl)cc1O
InChIInChI=1S/C20H22ClN3O2S/c1-3-12-11-27-20-23-18(15-7-5-6-8-22-15)19(24(12)20)13-9-17(26-4-2)16(25)10-14(13)21/h5-10,12,18-19,25H,3-4,11H2,1-2H3/t12-,18+,19+/m0/s1
InChIKeyZLXDCLUODYGBPT-GESALYCCSA-N
XLogP4.82
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-(3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)phenol
CID 133180711
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,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,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
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
(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
(3R,5S,6R)-5-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125051900
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)-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
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
4-[[2-[(3R,5S,6R)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenoxy]methyl]benzoic acid
CID 125050948

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@H](CC)N32)c(Cl)cc1O.
What is the InChIKey of 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?
The InChIKey is ZLXDCLUODYGBPT-GESALYCCSA-N. The full InChI is InChI=1S/C20H22ClN3O2S/c1-3-12-11-27-20-23-18(15-7-5-6-8-22-15)19(24(12)20)13-9-17(26-4-2)16(25)10-14(13)21/h5-10,12,18-19,25H,3-4,11H2,1-2H3/t12-,18+,19+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 403.94 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 125056899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).