(3R,5R,6R)-5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

C23H22ClN3OS — CID 125054112

IUPAC(3R,5R,6R)-5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESCC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(-c4ccc(C)c(Cl)c4)o3)N21
InChIInChI=1S/C23H22ClN3OS/c1-3-16-13-29-23-26-21(18-6-4-5-11-25-18)22(27(16)23)20-10-9-19(28-20)15-8-7-14(2)17(24)12-15/h4-12,16,21-22H,3,13H2,1-2H3/t16-,21+,22+/m1/s1
InChIKeyLPXUTMZINJLALU-XGRCMKMKSA-N
MW423.97 g/mol
LogP6.28
Rot. Bonds4

About (3R,5R,6R)-5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

(3R,5R,6R)-5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (PubChem CID 125054112) has the molecular formula C23H22ClN3OS and a molecular weight of 423.97 g/mol. Its IUPAC name is (3R,5R,6R)-5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name(3R,5R,6R)-5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
PubChem CID125054112
Molecular FormulaC23H22ClN3OS
Molecular Weight423.97 g/mol
Exact Mass423.12
IUPAC Name(3R,5R,6R)-5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESCC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(-c4ccc(C)c(Cl)c4)o3)N21
InChIInChI=1S/C23H22ClN3OS/c1-3-16-13-29-23-26-21(18-6-4-5-11-25-18)22(27(16)23)20-10-9-19(28-20)15-8-7-14(2)17(24)12-15/h4-12,16,21-22H,3,13H2,1-2H3/t16-,21+,22+/m1/s1
InChIKeyLPXUTMZINJLALU-XGRCMKMKSA-N
XLogP6.28
TPSA41.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.97
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R,5R,6R)-5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole with MolForge

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Related Compounds

5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180898
(3R,5R,6R)-3-ethyl-5-(5-phenylfuran-2-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125053956
(3R,5R,6S)-3-ethyl-5-[5-(4-fluorophenyl)furan-2-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125055168
4-[5-[(3R,5R,6R)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]furan-2-yl]benzoic acid
CID 125056326
5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180604
5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180894
(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
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
3-ethyl-5-(1-methylpyrrol-2-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180854
(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
5-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180760
(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

Frequently Asked Questions

What is the IUPAC name of (3R,5R,6R)-5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of (3R,5R,6R)-5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (CID 125054112) is (3R,5R,6R)-5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for (3R,5R,6R)-5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for (3R,5R,6R)-5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(-c4ccc(C)c(Cl)c4)o3)N21.
What is the InChIKey of (3R,5R,6R)-5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is LPXUTMZINJLALU-XGRCMKMKSA-N. The full InChI is InChI=1S/C23H22ClN3OS/c1-3-16-13-29-23-26-21(18-6-4-5-11-25-18)22(27(16)23)20-10-9-19(28-20)15-8-7-14(2)17(24)12-15/h4-12,16,21-22H,3,13H2,1-2H3/t16-,21+,22+/m1/s1.
What are the key properties of (3R,5R,6R)-5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
(3R,5R,6R)-5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 423.97 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,6R)-5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 125054112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).