3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

C22H21N3OS — CID 59252846

IUPAC3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C22H21N3OS/c1-22(2,20(26)25-21-24-12-13-27-21)19(15-6-4-3-5-7-15)17-8-9-18-16(14-17)10-11-23-18/h3-14,19,23H,1-2H3,(H,24,25,26)
InChIKeyUUSCTTLEOKMUJK-UHFFFAOYSA-N
MW375.50 g/mol
LogP5.42
Rot. Bonds5

About 3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 59252846) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is 3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID59252846
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC Name3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C22H21N3OS/c1-22(2,20(26)25-21-24-12-13-27-21)19(15-6-4-3-5-7-15)17-8-9-18-16(14-17)10-11-23-18/h3-14,19,23H,1-2H3,(H,24,25,26)
InChIKeyUUSCTTLEOKMUJK-UHFFFAOYSA-N
XLogP5.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.50
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide 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 3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (CID 59252846) is 3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2[nH]ccc2c1.
What is the InChIKey of 3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is UUSCTTLEOKMUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS/c1-22(2,20(26)25-21-24-12-13-27-21)19(15-6-4-3-5-7-15)17-8-9-18-16(14-17)10-11-23-18/h3-14,19,23H,1-2H3,(H,24,25,26).
What are the key properties of 3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 375.50 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 59252846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).