2,4-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)benzamide

C25H22Cl3N3O2S — CID 3996689

About 2,4-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)benzamide

2,4-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 3996689) has the molecular formula C25H22Cl3N3O2S and a molecular weight of 534.90 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)benzamide
• PubChem CID: 3996689
• Molecular Formula: C25H22Cl3N3O2S
• Molecular Weight: 534.90 g/mol
• Exact Mass: 533.05
• IUPAC Name: 2,4-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)benzamide
• SMILES: O=C(c1ccc(Cl)cc1Cl)N(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)CC1CCCO1
• InChI: InChI=1S/C25H22Cl3N3O2S/c26-17-5-3-16(4-6-17)23-14-31-19(15-34-25(31)29-23)9-10-30(13-20-2-1-11-33-20)24(32)21-8-7-18(27)12-22(21)28/h3-8,12,14-15,20H,1-2,9-11,13H2
• InChIKey: WYYGGYMWQQMAKT-UHFFFAOYSA-N
• XLogP: 6.89
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.90
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)benzamide?

The IUPAC name of 2,4-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)benzamide (CID 3996689) is 2,4-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)benzamide.

What is the SMILES notation for 2,4-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)benzamide?

The canonical SMILES for 2,4-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)benzamide is O=C(c1ccc(Cl)cc1Cl)N(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)CC1CCCO1.

What is the InChIKey of 2,4-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)benzamide?

The InChIKey is WYYGGYMWQQMAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl3N3O2S/c26-17-5-3-16(4-6-17)23-14-31-19(15-34-25(31)29-23)9-10-30(13-20-2-1-11-33-20)24(32)21-8-7-18(27)12-22(21)28/h3-8,12,14-15,20H,1-2,9-11,13H2.

What are the key properties of 2,4-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)benzamide?

2,4-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 534.90 g/mol, XLogP of 6.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 3996689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).