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

C26H26ClN3O3S — CID 42793191

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

N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 42793191) has the molecular formula C26H26ClN3O3S and a molecular weight of 496.03 g/mol. Its IUPAC name is N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide
• PubChem CID: 42793191
• Molecular Formula: C26H26ClN3O3S
• Molecular Weight: 496.03 g/mol
• Exact Mass: 495.14
• IUPAC Name: N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide
• SMILES: COc1cccc(C(=O)N(CCc2csc3nc(-c4ccc(Cl)cc4)cn23)CC2CCCO2)c1
• InChI: InChI=1S/C26H26ClN3O3S/c1-32-22-5-2-4-19(14-22)25(31)29(15-23-6-3-13-33-23)12-11-21-17-34-26-28-24(16-30(21)26)18-7-9-20(27)10-8-18/h2,4-5,7-10,14,16-17,23H,3,6,11-13,15H2,1H3
• InChIKey: YLJHBXDJYPENKK-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 56.07 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.03
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide (CID 42793191) is N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide.

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

The canonical SMILES for N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide is COc1cccc(C(=O)N(CCc2csc3nc(-c4ccc(Cl)cc4)cn23)CC2CCCO2)c1.

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

The InChIKey is YLJHBXDJYPENKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O3S/c1-32-22-5-2-4-19(14-22)25(31)29(15-23-6-3-13-33-23)12-11-21-17-34-26-28-24(16-30(21)26)18-7-9-20(27)10-8-18/h2,4-5,7-10,14,16-17,23H,3,6,11-13,15H2,1H3.

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

N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 496.03 g/mol, XLogP of 5.59, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 42793191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).