4-amino-5-N-[1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide

C23H24N6O4S2 — CID 3189114

About 4-amino-5-N-[1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-[1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide (PubChem CID 3189114) has the molecular formula C23H24N6O4S2 and a molecular weight of 512.62 g/mol. Its IUPAC name is 4-amino-5-N-[1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 4-amino-5-N-[1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide
• PubChem CID: 3189114
• Molecular Formula: C23H24N6O4S2
• Molecular Weight: 512.62 g/mol
• Exact Mass: 512.13
• IUPAC Name: 4-amino-5-N-[1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide
• SMILES: COCCNC(=O)C(c1c[nH]c2ccccc12)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N
• InChI: InChI=1S/C23H24N6O4S2/c1-33-9-8-26-22(31)19(15-11-27-16-7-3-2-6-14(15)16)29(12-13-5-4-10-34-13)23(32)20-17(24)18(21(25)30)28-35-20/h2-7,10-11,19,27H,8-9,12,24H2,1H3,(H2,25,30)(H,26,31)
• InChIKey: HEOVLEUXSOJTHD-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 156.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.62
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-[1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide?

The IUPAC name of 4-amino-5-N-[1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide (CID 3189114) is 4-amino-5-N-[1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide.

What is the SMILES notation for 4-amino-5-N-[1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide?

The canonical SMILES for 4-amino-5-N-[1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide is COCCNC(=O)C(c1c[nH]c2ccccc12)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N.

What is the InChIKey of 4-amino-5-N-[1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide?

The InChIKey is HEOVLEUXSOJTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4S2/c1-33-9-8-26-22(31)19(15-11-27-16-7-3-2-6-14(15)16)29(12-13-5-4-10-34-13)23(32)20-17(24)18(21(25)30)28-35-20/h2-7,10-11,19,27H,8-9,12,24H2,1H3,(H2,25,30)(H,26,31).

What are the key properties of 4-amino-5-N-[1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide?

4-amino-5-N-[1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 512.62 g/mol, XLogP of 2.51, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-5-N-[1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 3189114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).