(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

C22H20FN3OS — CID 125055168

IUPAC(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
SMILESCC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(-c4ccc(F)cc4)o3)N21
InChIInChI=1S/C22H20FN3OS/c1-2-16-13-28-22-25-20(17-5-3-4-12-24-17)21(26(16)22)19-11-10-18(27-19)14-6-8-15(23)9-7-14/h3-12,16,20-21H,2,13H2,1H3/t16-,20-,21+/m1/s1
InChIKeyNZLHGKOSLULZLH-HBGVWJBISA-N
MW393.49 g/mol
LogP5.46
Rot. Bonds4

About (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

(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 (PubChem CID 125055168) has the molecular formula C22H20FN3OS and a molecular weight of 393.49 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID125055168
Molecular FormulaC22H20FN3OS
Molecular Weight393.49 g/mol
Exact Mass393.13
IUPAC Name(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
SMILESCC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(-c4ccc(F)cc4)o3)N21
InChIInChI=1S/C22H20FN3OS/c1-2-16-13-28-22-25-20(17-5-3-4-12-24-17)21(26(16)22)19-11-10-18(27-19)14-6-8-15(23)9-7-14/h3-12,16,20-21H,2,13H2,1H3/t16-,20-,21+/m1/s1
InChIKeyNZLHGKOSLULZLH-HBGVWJBISA-N
XLogP5.46
TPSA41.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

(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
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-(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
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)-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
(3R,5R,6S)-3-ethyl-5-[1-(4-fluorophenyl)pyrrol-2-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125050958
(3R,5R,6R)-3-ethyl-5-[1-(4-fluorophenyl)pyrrol-2-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125050957
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)-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-(2-bromophenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125054773
5-[(3R,5S,6R)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]-1,3-dimethylbenzimidazol-2-one
CID 125055592
3-ethyl-6-pyridin-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrol-2-yl]-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180879

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(-c4ccc(F)cc4)o3)N21.
What is the InChIKey of (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?
The InChIKey is NZLHGKOSLULZLH-HBGVWJBISA-N. The full InChI is InChI=1S/C22H20FN3OS/c1-2-16-13-28-22-25-20(17-5-3-4-12-24-17)21(26(16)22)19-11-10-18(27-19)14-6-8-15(23)9-7-14/h3-12,16,20-21H,2,13H2,1H3/t16-,20-,21+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 393.49 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 125055168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).