5-(1-cyclohexylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

C22H28N4S — CID 133180904

About 5-(1-cyclohexylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

5-(1-cyclohexylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (PubChem CID 133180904) has the molecular formula C22H28N4S and a molecular weight of 380.56 g/mol. Its IUPAC name is 5-(1-cyclohexylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

• Compound Name: 5-(1-cyclohexylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
• PubChem CID: 133180904
• Molecular Formula: C22H28N4S
• Molecular Weight: 380.56 g/mol
• Exact Mass: 380.20
• IUPAC Name: 5-(1-cyclohexylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
• SMILES: CCC1CSC2=NC(c3ccccn3)C(c3ccn(C4CCCCC4)c3)N21
• InChI: InChI=1S/C22H28N4S/c1-2-17-15-27-22-24-20(19-10-6-7-12-23-19)21(26(17)22)16-11-13-25(14-16)18-8-4-3-5-9-18/h6-7,10-14,17-18,20-21H,2-5,8-9,15H2,1H3
• InChIKey: HWCYETKPTGVGHM-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 33.42 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.56
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?

The IUPAC name of 5-(1-cyclohexylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (CID 133180904) is 5-(1-cyclohexylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.

What is the SMILES notation for 5-(1-cyclohexylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?

The canonical SMILES for 5-(1-cyclohexylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is CCC1CSC2=NC(c3ccccn3)C(c3ccn(C4CCCCC4)c3)N21.

What is the InChIKey of 5-(1-cyclohexylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?

The InChIKey is HWCYETKPTGVGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4S/c1-2-17-15-27-22-24-20(19-10-6-7-12-23-19)21(26(17)22)16-11-13-25(14-16)18-8-4-3-5-9-18/h6-7,10-14,17-18,20-21H,2-5,8-9,15H2,1H3.

What are the key properties of 5-(1-cyclohexylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?

5-(1-cyclohexylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 380.56 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-cyclohexylpyrrol-3-yl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 133180904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).