N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide

C27H30N4O2S — CID 1450516

IUPACN-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide
SMILESCc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)CN4CCCCC4)sc3C)ccc21
InChIInChI=1S/C27H30N4O2S/c1-18-8-4-5-9-22(18)26(33)31-15-12-20-16-21(10-11-23(20)31)25-19(2)34-27(29-25)28-24(32)17-30-13-6-3-7-14-30/h4-5,8-11,16H,3,6-7,12-15,17H2,1-2H3,(H,28,29,32)
InChIKeyCXWAGKUQTWHEAD-UHFFFAOYSA-N
MW474.63 g/mol
LogP5.05
Rot. Bonds5

About N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide

N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide (PubChem CID 1450516) has the molecular formula C27H30N4O2S and a molecular weight of 474.63 g/mol. Its IUPAC name is N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide
PubChem CID1450516
Molecular FormulaC27H30N4O2S
Molecular Weight474.63 g/mol
Exact Mass474.21
IUPAC NameN-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide
SMILESCc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)CN4CCCCC4)sc3C)ccc21
InChIInChI=1S/C27H30N4O2S/c1-18-8-4-5-9-22(18)26(33)31-15-12-20-16-21(10-11-23(20)31)25-19(2)34-27(29-25)28-24(32)17-30-13-6-3-7-14-30/h4-5,8-11,16H,3,6-7,12-15,17H2,1-2H3,(H,28,29,32)
InChIKeyCXWAGKUQTWHEAD-UHFFFAOYSA-N
XLogP5.05
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.63
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide (CID 1450516) is N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide is Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)CN4CCCCC4)sc3C)ccc21.
What is the InChIKey of N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide?
The InChIKey is CXWAGKUQTWHEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2S/c1-18-8-4-5-9-22(18)26(33)31-15-12-20-16-21(10-11-23(20)31)25-19(2)34-27(29-25)28-24(32)17-30-13-6-3-7-14-30/h4-5,8-11,16H,3,6-7,12-15,17H2,1-2H3,(H,28,29,32).
What are the key properties of N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide?
N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide has a molecular weight of 474.63 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 1450516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).