2-[[(4-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide

C24H36ClN5O2S — CID 3940290

About 2-[[(4-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide

2-[[(4-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 3940290) has the molecular formula C24H36ClN5O2S and a molecular weight of 494.11 g/mol. Its IUPAC name is 2-[[(4-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[[(4-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 3940290
• Molecular Formula: C24H36ClN5O2S
• Molecular Weight: 494.11 g/mol
• Exact Mass: 493.23
• IUPAC Name: 2-[[(4-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide
• SMILES: CCN(CC)CCCC(C)NC(=O)c1csc(CN(C(=O)Nc2ccc(Cl)cc2)C(C)C)n1
• InChI: InChI=1S/C24H36ClN5O2S/c1-6-29(7-2)14-8-9-18(5)26-23(31)21-16-33-22(28-21)15-30(17(3)4)24(32)27-20-12-10-19(25)11-13-20/h10-13,16-18H,6-9,14-15H2,1-5H3,(H,26,31)(H,27,32)
• InChIKey: WZZPCYFIFGTKLJ-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 77.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.11
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[[(4-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide (CID 3940290) is 2-[[(4-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[[(4-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[[(4-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide is CCN(CC)CCCC(C)NC(=O)c1csc(CN(C(=O)Nc2ccc(Cl)cc2)C(C)C)n1.

What is the InChIKey of 2-[[(4-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is WZZPCYFIFGTKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36ClN5O2S/c1-6-29(7-2)14-8-9-18(5)26-23(31)21-16-33-22(28-21)15-30(17(3)4)24(32)27-20-12-10-19(25)11-13-20/h10-13,16-18H,6-9,14-15H2,1-5H3,(H,26,31)(H,27,32).

What are the key properties of 2-[[(4-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide?

2-[[(4-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 494.11 g/mol, XLogP of 5.48, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(4-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3940290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).