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

C24H35Cl2N5O2S — CID 3523132

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

2-[[(3,4-dichlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 3523132) has the molecular formula C24H35Cl2N5O2S and a molecular weight of 528.55 g/mol. Its IUPAC name is 2-[[(3,4-dichlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[[(3,4-dichlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 3523132
• Molecular Formula: C24H35Cl2N5O2S
• Molecular Weight: 528.55 g/mol
• Exact Mass: 527.19
• IUPAC Name: 2-[[(3,4-dichlorophenyl)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)c(Cl)c2)C(C)C)n1
• InChI: InChI=1S/C24H35Cl2N5O2S/c1-6-30(7-2)12-8-9-17(5)27-23(32)21-15-34-22(29-21)14-31(16(3)4)24(33)28-18-10-11-19(25)20(26)13-18/h10-11,13,15-17H,6-9,12,14H2,1-5H3,(H,27,32)(H,28,33)
• InChIKey: GWAQZXGETOVZHK-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 77.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.55
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[[(3,4-dichlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide (CID 3523132) is 2-[[(3,4-dichlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide.

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

The canonical SMILES for 2-[[(3,4-dichlorophenyl)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)c(Cl)c2)C(C)C)n1.

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

The InChIKey is GWAQZXGETOVZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35Cl2N5O2S/c1-6-30(7-2)12-8-9-17(5)27-23(32)21-15-34-22(29-21)14-31(16(3)4)24(33)28-18-10-11-19(25)20(26)13-18/h10-11,13,15-17H,6-9,12,14H2,1-5H3,(H,27,32)(H,28,33).

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

2-[[(3,4-dichlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 528.55 g/mol, XLogP of 6.13, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(3,4-dichlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3523132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).