N-[2-(2,3-dihydroindol-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide

C21H21N3OS — CID 47035342

IUPACN-[2-(2,3-dihydroindol-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCC(CNC(=O)c1cnc(-c2ccccc2)s1)N1CCc2ccccc21
InChIInChI=1S/C21H21N3OS/c1-15(24-12-11-16-7-5-6-10-18(16)24)13-22-20(25)19-14-23-21(26-19)17-8-3-2-4-9-17/h2-10,14-15H,11-13H2,1H3,(H,22,25)
InChIKeyIDNUKDUHILPXRQ-UHFFFAOYSA-N
MW363.49 g/mol
LogP3.99
Rot. Bonds5

About N-[2-(2,3-dihydroindol-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide

N-[2-(2,3-dihydroindol-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 47035342) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID47035342
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCC(CNC(=O)c1cnc(-c2ccccc2)s1)N1CCc2ccccc21
InChIInChI=1S/C21H21N3OS/c1-15(24-12-11-16-7-5-6-10-18(16)24)13-22-20(25)19-14-23-21(26-19)17-8-3-2-4-9-17/h2-10,14-15H,11-13H2,1H3,(H,22,25)
InChIKeyIDNUKDUHILPXRQ-UHFFFAOYSA-N
XLogP3.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,3-dihydroindol-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride
CID 119946701
2-acetamido-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 38304559
N-(3-aminobutyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 119499312
2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 119856819
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-phenylpropyl)urea
CID 112820237
2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119856818
N-[2-(2,3-dihydroindol-1-yl)propyl]-2-hydroxy-3-methoxybenzamide
CID 112819645
2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 120813543
(2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide
CID 94028724
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111504884
3-chloro-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxybenzamide
CID 37193661
N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976526

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 47035342) is N-[2-(2,3-dihydroindol-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide is CC(CNC(=O)c1cnc(-c2ccccc2)s1)N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is IDNUKDUHILPXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3OS/c1-15(24-12-11-16-7-5-6-10-18(16)24)13-22-20(25)19-14-23-21(26-19)17-8-3-2-4-9-17/h2-10,14-15H,11-13H2,1H3,(H,22,25).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide?
N-[2-(2,3-dihydroindol-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 363.49 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47035342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).