2-cycloheptyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(quinolin-2-ylmethoxy)phenyl]acetamide

C28H31N3O2S — CID 19737370

About 2-cycloheptyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(quinolin-2-ylmethoxy)phenyl]acetamide

2-cycloheptyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(quinolin-2-ylmethoxy)phenyl]acetamide (PubChem CID 19737370) has the molecular formula C28H31N3O2S and a molecular weight of 473.64 g/mol. Its IUPAC name is 2-cycloheptyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(quinolin-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-cycloheptyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
• PubChem CID: 19737370
• Molecular Formula: C28H31N3O2S
• Molecular Weight: 473.64 g/mol
• Exact Mass: 473.21
• IUPAC Name: 2-cycloheptyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
• SMILES: O=C(NC1=NCCS1)C(c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCCC1
• InChI: InChI=1S/C28H31N3O2S/c32-27(31-28-29-17-18-34-28)26(21-8-3-1-2-4-9-21)22-12-15-24(16-13-22)33-19-23-14-11-20-7-5-6-10-25(20)30-23/h5-7,10-16,21,26H,1-4,8-9,17-19H2,(H,29,31,32)
• InChIKey: CZOVZDICQGJULF-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 63.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.64
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(quinolin-2-ylmethoxy)phenyl]acetamide?

The IUPAC name of 2-cycloheptyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(quinolin-2-ylmethoxy)phenyl]acetamide (CID 19737370) is 2-cycloheptyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(quinolin-2-ylmethoxy)phenyl]acetamide.

What is the SMILES notation for 2-cycloheptyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(quinolin-2-ylmethoxy)phenyl]acetamide?

The canonical SMILES for 2-cycloheptyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(quinolin-2-ylmethoxy)phenyl]acetamide is O=C(NC1=NCCS1)C(c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCCC1.

What is the InChIKey of 2-cycloheptyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(quinolin-2-ylmethoxy)phenyl]acetamide?

The InChIKey is CZOVZDICQGJULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2S/c32-27(31-28-29-17-18-34-28)26(21-8-3-1-2-4-9-21)22-12-15-24(16-13-22)33-19-23-14-11-20-7-5-6-10-25(20)30-23/h5-7,10-16,21,26H,1-4,8-9,17-19H2,(H,29,31,32).

What are the key properties of 2-cycloheptyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(quinolin-2-ylmethoxy)phenyl]acetamide?

2-cycloheptyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(quinolin-2-ylmethoxy)phenyl]acetamide has a molecular weight of 473.64 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cycloheptyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(quinolin-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 19737370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).