N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

C22H23N3OS2 — CID 55691271

About N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 55691271) has the molecular formula C22H23N3OS2 and a molecular weight of 409.58 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 55691271
• Molecular Formula: C22H23N3OS2
• Molecular Weight: 409.58 g/mol
• Exact Mass: 409.13
• IUPAC Name: N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(C(C)C)sc1C(=O)NCC(c1cccs1)c1c[nH]c2ccccc12
• InChI: InChI=1S/C22H23N3OS2/c1-13(2)22-25-14(3)20(28-22)21(26)24-12-17(19-9-6-10-27-19)16-11-23-18-8-5-4-7-15(16)18/h4-11,13,17,23H,12H2,1-3H3,(H,24,26)
• InChIKey: VPMVXHBELMPFNI-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 57.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.58
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 55691271) is N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)sc1C(=O)NCC(c1cccs1)c1c[nH]c2ccccc12.

What is the InChIKey of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?

The InChIKey is VPMVXHBELMPFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS2/c1-13(2)22-25-14(3)20(28-22)21(26)24-12-17(19-9-6-10-27-19)16-11-23-18-8-5-4-7-15(16)18/h4-11,13,17,23H,12H2,1-3H3,(H,24,26).

What are the key properties of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?

N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 409.58 g/mol, XLogP of 5.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55691271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).