2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide

C23H24N4OS — CID 68707324

IUPAC2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide
SMILESCc1ccc(-c2ccc3ccn(CC(=O)NCCNCc4nccs4)c3c2)cc1
InChIInChI=1S/C23H24N4OS/c1-17-2-4-18(5-3-17)20-7-6-19-8-12-27(21(19)14-20)16-22(28)25-10-9-24-15-23-26-11-13-29-23/h2-8,11-14,24H,9-10,15-16H2,1H3,(H,25,28)
InChIKeyGYOIHFKIQKLJMR-UHFFFAOYSA-N
MW404.54 g/mol
LogP3.98
Rot. Bonds8

About 2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide

2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide (PubChem CID 68707324) has the molecular formula C23H24N4OS and a molecular weight of 404.54 g/mol. Its IUPAC name is 2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide
PubChem CID68707324
Molecular FormulaC23H24N4OS
Molecular Weight404.54 g/mol
Exact Mass404.17
IUPAC Name2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide
SMILESCc1ccc(-c2ccc3ccn(CC(=O)NCCNCc4nccs4)c3c2)cc1
InChIInChI=1S/C23H24N4OS/c1-17-2-4-18(5-3-17)20-7-6-19-8-12-27(21(19)14-20)16-22(28)25-10-9-24-15-23-26-11-13-29-23/h2-8,11-14,24H,9-10,15-16H2,1H3,(H,25,28)
InChIKeyGYOIHFKIQKLJMR-UHFFFAOYSA-N
XLogP3.98
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide?
The IUPAC name of 2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide (CID 68707324) is 2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide?
The canonical SMILES for 2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide is Cc1ccc(-c2ccc3ccn(CC(=O)NCCNCc4nccs4)c3c2)cc1.
What is the InChIKey of 2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide?
The InChIKey is GYOIHFKIQKLJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4OS/c1-17-2-4-18(5-3-17)20-7-6-19-8-12-27(21(19)14-20)16-22(28)25-10-9-24-15-23-26-11-13-29-23/h2-8,11-14,24H,9-10,15-16H2,1H3,(H,25,28).
What are the key properties of 2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide?
2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide has a molecular weight of 404.54 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 68707324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).