(2R,5R,6S)-5-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

C24H26N4S — CID 125053376

About (2R,5R,6S)-5-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

(2R,5R,6S)-5-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (PubChem CID 125053376) has the molecular formula C24H26N4S and a molecular weight of 402.57 g/mol. Its IUPAC name is (2R,5R,6S)-5-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

• Compound Name: (2R,5R,6S)-5-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
• PubChem CID: 125053376
• Molecular Formula: C24H26N4S
• Molecular Weight: 402.57 g/mol
• Exact Mass: 402.19
• IUPAC Name: (2R,5R,6S)-5-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
• SMILES: Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c1C
• InChI: InChI=1S/C24H26N4S/c1-15-9-5-6-11-21(15)28-16(2)13-19(18(28)4)23-22(20-10-7-8-12-25-20)26-24-27(23)14-17(3)29-24/h5-13,17,22-23H,14H2,1-4H3/t17-,22-,23-/m1/s1
• InChIKey: JIXYWRKKHIOKAD-NLSFWIRASA-N
• XLogP: 5.39
• TPSA: 33.42 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.57
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,5R,6S)-5-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?

The IUPAC name of (2R,5R,6S)-5-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (CID 125053376) is (2R,5R,6S)-5-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.

What is the SMILES notation for (2R,5R,6S)-5-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?

The canonical SMILES for (2R,5R,6S)-5-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c1C.

What is the InChIKey of (2R,5R,6S)-5-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?

The InChIKey is JIXYWRKKHIOKAD-NLSFWIRASA-N. The full InChI is InChI=1S/C24H26N4S/c1-15-9-5-6-11-21(15)28-16(2)13-19(18(28)4)23-22(20-10-7-8-12-25-20)26-24-27(23)14-17(3)29-24/h5-13,17,22-23H,14H2,1-4H3/t17-,22-,23-/m1/s1.

What are the key properties of (2R,5R,6S)-5-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?

(2R,5R,6S)-5-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 402.57 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5R,6S)-5-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 125053376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).