N-[2-(2-methoxyethylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide

C24H35N5O5S — CID 70869922

About N-[2-(2-methoxyethylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide

N-[2-(2-methoxyethylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide (PubChem CID 70869922) has the molecular formula C24H35N5O5S and a molecular weight of 505.64 g/mol. Its IUPAC name is N-[2-(2-methoxyethylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2-methoxyethylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide
• PubChem CID: 70869922
• Molecular Formula: C24H35N5O5S
• Molecular Weight: 505.64 g/mol
• Exact Mass: 505.24
• IUPAC Name: N-[2-(2-methoxyethylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide
• SMILES: COCCNC(=O)c1cc(CN2CCOCC2)ccc1NC(=O)C1CSC(N2CC[C@H](OC)C2)=N1
• InChI: InChI=1S/C24H35N5O5S/c1-32-10-6-25-22(30)19-13-17(14-28-8-11-34-12-9-28)3-4-20(19)26-23(31)21-16-35-24(27-21)29-7-5-18(15-29)33-2/h3-4,13,18,21H,5-12,14-16H2,1-2H3,(H,25,30)(H,26,31)/t18-,21?/m0/s1
• InChIKey: ULHKDSZLGHRSSF-YMXDCFFPSA-N
• XLogP: 1.03
• TPSA: 104.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.64
LogP ≤ 5	1.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[2-(2-methoxyethylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide (CID 70869922) is N-[2-(2-methoxyethylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[2-(2-methoxyethylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[2-(2-methoxyethylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide is COCCNC(=O)c1cc(CN2CCOCC2)ccc1NC(=O)C1CSC(N2CC[C@H](OC)C2)=N1.

What is the InChIKey of N-[2-(2-methoxyethylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide?

The InChIKey is ULHKDSZLGHRSSF-YMXDCFFPSA-N. The full InChI is InChI=1S/C24H35N5O5S/c1-32-10-6-25-22(30)19-13-17(14-28-8-11-34-12-9-28)3-4-20(19)26-23(31)21-16-35-24(27-21)29-7-5-18(15-29)33-2/h3-4,13,18,21H,5-12,14-16H2,1-2H3,(H,25,30)(H,26,31)/t18-,21?/m0/s1.

What are the key properties of N-[2-(2-methoxyethylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide?

N-[2-(2-methoxyethylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide has a molecular weight of 505.64 g/mol, XLogP of 1.03, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-methoxyethylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70869922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).