2,2-dimethyl-3-phenyl-3-(2-pyridin-4-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide

C27H24N4OS — CID 59252798

IUPAC2,2-dimethyl-3-phenyl-3-(2-pyridin-4-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2[nH]c(-c3ccncc3)cc2c1
InChIInChI=1S/C27H24N4OS/c1-27(2,25(32)31-26-29-14-15-33-26)24(19-6-4-3-5-7-19)20-8-9-22-21(16-20)17-23(30-22)18-10-12-28-13-11-18/h3-17,24,30H,1-2H3,(H,29,31,32)
InChIKeyPGZVDIZSJNPHJG-UHFFFAOYSA-N
MW452.58 g/mol
LogP6.48
Rot. Bonds6

About 2,2-dimethyl-3-phenyl-3-(2-pyridin-4-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide

2,2-dimethyl-3-phenyl-3-(2-pyridin-4-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 59252798) has the molecular formula C27H24N4OS and a molecular weight of 452.58 g/mol. Its IUPAC name is 2,2-dimethyl-3-phenyl-3-(2-pyridin-4-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-phenyl-3-(2-pyridin-4-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID59252798
Molecular FormulaC27H24N4OS
Molecular Weight452.58 g/mol
Exact Mass452.17
IUPAC Name2,2-dimethyl-3-phenyl-3-(2-pyridin-4-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2[nH]c(-c3ccncc3)cc2c1
InChIInChI=1S/C27H24N4OS/c1-27(2,25(32)31-26-29-14-15-33-26)24(19-6-4-3-5-7-19)20-8-9-22-21(16-20)17-23(30-22)18-10-12-28-13-11-18/h3-17,24,30H,1-2H3,(H,29,31,32)
InChIKeyPGZVDIZSJNPHJG-UHFFFAOYSA-N
XLogP6.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.58
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-phenyl-3-(2-pyridin-4-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2,2-dimethyl-3-phenyl-3-(2-pyridin-4-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 59252798) is 2,2-dimethyl-3-phenyl-3-(2-pyridin-4-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-phenyl-3-(2-pyridin-4-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-3-phenyl-3-(2-pyridin-4-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide is CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2[nH]c(-c3ccncc3)cc2c1.
What is the InChIKey of 2,2-dimethyl-3-phenyl-3-(2-pyridin-4-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is PGZVDIZSJNPHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4OS/c1-27(2,25(32)31-26-29-14-15-33-26)24(19-6-4-3-5-7-19)20-8-9-22-21(16-20)17-23(30-22)18-10-12-28-13-11-18/h3-17,24,30H,1-2H3,(H,29,31,32).
What are the key properties of 2,2-dimethyl-3-phenyl-3-(2-pyridin-4-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide?
2,2-dimethyl-3-phenyl-3-(2-pyridin-4-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 452.58 g/mol, XLogP of 6.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-phenyl-3-(2-pyridin-4-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 59252798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).