(3R,5S,6R)-3-ethyl-5-[1-(4-methoxyphenyl)pyrrol-3-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

C23H24N4OS — CID 125051874

IUPAC(3R,5S,6R)-3-ethyl-5-[1-(4-methoxyphenyl)pyrrol-3-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](c3ccn(-c4ccc(OC)cc4)c3)N21
InChIInChI=1S/C23H24N4OS/c1-3-17-15-29-23-25-21(20-6-4-5-12-24-20)22(27(17)23)16-11-13-26(14-16)18-7-9-19(28-2)10-8-18/h4-14,17,21-22H,3,15H2,1-2H3/t17-,21+,22+/m1/s1
InChIKeyFQVHLDJHDHTFCU-WTNAPCKOSA-N
MW404.54 g/mol
LogP4.86
Rot. Bonds5

About (3R,5S,6R)-3-ethyl-5-[1-(4-methoxyphenyl)pyrrol-3-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

(3R,5S,6R)-3-ethyl-5-[1-(4-methoxyphenyl)pyrrol-3-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (PubChem CID 125051874) has the molecular formula C23H24N4OS and a molecular weight of 404.54 g/mol. Its IUPAC name is (3R,5S,6R)-3-ethyl-5-[1-(4-methoxyphenyl)pyrrol-3-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name(3R,5S,6R)-3-ethyl-5-[1-(4-methoxyphenyl)pyrrol-3-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
PubChem CID125051874
Molecular FormulaC23H24N4OS
Molecular Weight404.54 g/mol
Exact Mass404.17
IUPAC Name(3R,5S,6R)-3-ethyl-5-[1-(4-methoxyphenyl)pyrrol-3-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](c3ccn(-c4ccc(OC)cc4)c3)N21
InChIInChI=1S/C23H24N4OS/c1-3-17-15-29-23-25-21(20-6-4-5-12-24-20)22(27(17)23)16-11-13-26(14-16)18-7-9-19(28-2)10-8-18/h4-14,17,21-22H,3,15H2,1-2H3/t17-,21+,22+/m1/s1
InChIKeyFQVHLDJHDHTFCU-WTNAPCKOSA-N
XLogP4.86
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R,5S,6R)-3-ethyl-5-[1-(4-methoxyphenyl)pyrrol-3-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,5S,6R)-3-ethyl-5-[1-(4-methoxyphenyl)pyrrol-3-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of (3R,5S,6R)-3-ethyl-5-[1-(4-methoxyphenyl)pyrrol-3-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (CID 125051874) is (3R,5S,6R)-3-ethyl-5-[1-(4-methoxyphenyl)pyrrol-3-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for (3R,5S,6R)-3-ethyl-5-[1-(4-methoxyphenyl)pyrrol-3-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for (3R,5S,6R)-3-ethyl-5-[1-(4-methoxyphenyl)pyrrol-3-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](c3ccn(-c4ccc(OC)cc4)c3)N21.
What is the InChIKey of (3R,5S,6R)-3-ethyl-5-[1-(4-methoxyphenyl)pyrrol-3-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is FQVHLDJHDHTFCU-WTNAPCKOSA-N. The full InChI is InChI=1S/C23H24N4OS/c1-3-17-15-29-23-25-21(20-6-4-5-12-24-20)22(27(17)23)16-11-13-26(14-16)18-7-9-19(28-2)10-8-18/h4-14,17,21-22H,3,15H2,1-2H3/t17-,21+,22+/m1/s1.
What are the key properties of (3R,5S,6R)-3-ethyl-5-[1-(4-methoxyphenyl)pyrrol-3-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
(3R,5S,6R)-3-ethyl-5-[1-(4-methoxyphenyl)pyrrol-3-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 404.54 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S,6R)-3-ethyl-5-[1-(4-methoxyphenyl)pyrrol-3-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 125051874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).