6-[2-[5-chloro-2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-methylimidazo[2,1-b][1,3]thiazole

C24H16ClF3N4S2 — CID 164581289

About 6-[2-[5-chloro-2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-methylimidazo[2,1-b][1,3]thiazole

6-[2-[5-chloro-2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-methylimidazo[2,1-b][1,3]thiazole (PubChem CID 164581289) has the molecular formula C24H16ClF3N4S2 and a molecular weight of 517.00 g/mol. Its IUPAC name is 6-[2-[5-chloro-2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-methylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

• Compound Name: 6-[2-[5-chloro-2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-methylimidazo[2,1-b][1,3]thiazole
• PubChem CID: 164581289
• Molecular Formula: C24H16ClF3N4S2
• Molecular Weight: 517.00 g/mol
• Exact Mass: 516.05
• IUPAC Name: 6-[2-[5-chloro-2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-methylimidazo[2,1-b][1,3]thiazole
• SMILES: Cc1cn2cc(-c3ccc(C(F)(F)F)cc3-c3cc(Cl)ccc3-c3cn4c(n3)SCC4)nc2s1
• InChI: InChI=1S/C24H16ClF3N4S2/c1-13-10-32-12-21(30-23(32)34-13)16-4-2-14(24(26,27)28)8-18(16)19-9-15(25)3-5-17(19)20-11-31-6-7-33-22(31)29-20/h2-5,8-12H,6-7H2,1H3
• InChIKey: AZFRFMAAYOXSJB-UHFFFAOYSA-N
• XLogP: 7.68
• TPSA: 35.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.00
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-chloro-2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-methylimidazo[2,1-b][1,3]thiazole?

The IUPAC name of 6-[2-[5-chloro-2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-methylimidazo[2,1-b][1,3]thiazole (CID 164581289) is 6-[2-[5-chloro-2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-methylimidazo[2,1-b][1,3]thiazole.

What is the SMILES notation for 6-[2-[5-chloro-2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-methylimidazo[2,1-b][1,3]thiazole?

The canonical SMILES for 6-[2-[5-chloro-2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-methylimidazo[2,1-b][1,3]thiazole is Cc1cn2cc(-c3ccc(C(F)(F)F)cc3-c3cc(Cl)ccc3-c3cn4c(n3)SCC4)nc2s1.

What is the InChIKey of 6-[2-[5-chloro-2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-methylimidazo[2,1-b][1,3]thiazole?

The InChIKey is AZFRFMAAYOXSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF3N4S2/c1-13-10-32-12-21(30-23(32)34-13)16-4-2-14(24(26,27)28)8-18(16)19-9-15(25)3-5-17(19)20-11-31-6-7-33-22(31)29-20/h2-5,8-12H,6-7H2,1H3.

What are the key properties of 6-[2-[5-chloro-2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-methylimidazo[2,1-b][1,3]thiazole?

6-[2-[5-chloro-2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-methylimidazo[2,1-b][1,3]thiazole has a molecular weight of 517.00 g/mol, XLogP of 7.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[5-chloro-2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-methylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 164581289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).