2-[2-methoxyethyl(methyl)amino]-N-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide

C25H37N5O4S — CID 70955193

About 2-[2-methoxyethyl(methyl)amino]-N-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide

2-[2-methoxyethyl(methyl)amino]-N-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 70955193) has the molecular formula C25H37N5O4S and a molecular weight of 503.67 g/mol. Its IUPAC name is 2-[2-methoxyethyl(methyl)amino]-N-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[2-methoxyethyl(methyl)amino]-N-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 70955193
• Molecular Formula: C25H37N5O4S
• Molecular Weight: 503.67 g/mol
• Exact Mass: 503.26
• IUPAC Name: 2-[2-methoxyethyl(methyl)amino]-N-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
• SMILES: CCCNC(=O)c1cc(CN2CCC[C@@H]2COC)ccc1NC(=O)c1csc(N(C)CCOC)n1
• InChI: InChI=1S/C25H37N5O4S/c1-5-10-26-23(31)20-14-18(15-30-11-6-7-19(30)16-34-4)8-9-21(20)27-24(32)22-17-35-25(28-22)29(2)12-13-33-3/h8-9,14,17,19H,5-7,10-13,15-16H2,1-4H3,(H,26,31)(H,27,32)/t19-/m1/s1
• InChIKey: KZHWEWZTQQBIAD-LJQANCHMSA-N
• XLogP: 3.23
• TPSA: 96.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.67
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(methyl)amino]-N-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[2-methoxyethyl(methyl)amino]-N-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (CID 70955193) is 2-[2-methoxyethyl(methyl)amino]-N-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[2-methoxyethyl(methyl)amino]-N-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[2-methoxyethyl(methyl)amino]-N-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is CCCNC(=O)c1cc(CN2CCC[C@@H]2COC)ccc1NC(=O)c1csc(N(C)CCOC)n1.

What is the InChIKey of 2-[2-methoxyethyl(methyl)amino]-N-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?

The InChIKey is KZHWEWZTQQBIAD-LJQANCHMSA-N. The full InChI is InChI=1S/C25H37N5O4S/c1-5-10-26-23(31)20-14-18(15-30-11-6-7-19(30)16-34-4)8-9-21(20)27-24(32)22-17-35-25(28-22)29(2)12-13-33-3/h8-9,14,17,19H,5-7,10-13,15-16H2,1-4H3,(H,26,31)(H,27,32)/t19-/m1/s1.

What are the key properties of 2-[2-methoxyethyl(methyl)amino]-N-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?

2-[2-methoxyethyl(methyl)amino]-N-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 503.67 g/mol, XLogP of 3.23, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-methoxyethyl(methyl)amino]-N-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70955193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).