2-(4-chlorophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide

C24H24ClN3O3S — CID 55893825

About 2-(4-chlorophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide

2-(4-chlorophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 55893825) has the molecular formula C24H24ClN3O3S and a molecular weight of 469.99 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
• PubChem CID: 55893825
• Molecular Formula: C24H24ClN3O3S
• Molecular Weight: 469.99 g/mol
• Exact Mass: 469.12
• IUPAC Name: 2-(4-chlorophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1
• InChI: InChI=1S/C24H24ClN3O3S/c1-15-22(32-24(27-15)17-4-6-18(25)7-5-17)23(30)26-13-12-16-2-10-20(11-3-16)31-14-21(29)28-19-8-9-19/h2-7,10-11,19H,8-9,12-14H2,1H3,(H,26,30)(H,28,29)
• InChIKey: XAHPYDRWUFTGES-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.99
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-(4-chlorophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 55893825) is 2-(4-chlorophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-(4-chlorophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1.

What is the InChIKey of 2-(4-chlorophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide?

The InChIKey is XAHPYDRWUFTGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3S/c1-15-22(32-24(27-15)17-4-6-18(25)7-5-17)23(30)26-13-12-16-2-10-20(11-3-16)31-14-21(29)28-19-8-9-19/h2-7,10-11,19H,8-9,12-14H2,1H3,(H,26,30)(H,28,29).

What are the key properties of 2-(4-chlorophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide?

2-(4-chlorophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 469.99 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55893825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).