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

C23H20N4OS — CID 59252802

IUPAC3-(3-cyano-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]cc(C#N)c2c1
InChIInChI=1S/C23H20N4OS/c1-23(2,21(28)27-22-25-10-11-29-22)20(15-6-4-3-5-7-15)16-8-9-19-18(12-16)17(13-24)14-26-19/h3-12,14,20,26H,1-2H3,(H,25,27,28)
InChIKeyMZMIQUNAISDJKG-UHFFFAOYSA-N
MW400.51 g/mol
LogP5.29
Rot. Bonds5

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

3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 59252802) has the molecular formula C23H20N4OS and a molecular weight of 400.51 g/mol. Its IUPAC name is 3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID59252802
Molecular FormulaC23H20N4OS
Molecular Weight400.51 g/mol
Exact Mass400.14
IUPAC Name3-(3-cyano-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]cc(C#N)c2c1
InChIInChI=1S/C23H20N4OS/c1-23(2,21(28)27-22-25-10-11-29-22)20(15-6-4-3-5-7-15)16-8-9-19-18(12-16)17(13-24)14-26-19/h3-12,14,20,26H,1-2H3,(H,25,27,28)
InChIKeyMZMIQUNAISDJKG-UHFFFAOYSA-N
XLogP5.29
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.51
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (CID 59252802) is 3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(3-cyano-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]cc(C#N)c2c1.
What is the InChIKey of 3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is MZMIQUNAISDJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4OS/c1-23(2,21(28)27-22-25-10-11-29-22)20(15-6-4-3-5-7-15)16-8-9-19-18(12-16)17(13-24)14-26-19/h3-12,14,20,26H,1-2H3,(H,25,27,28).
What are the key properties of 3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 400.51 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 59252802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).