2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide

C27H20N4O2S — CID 135351534

IUPAC2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(c1ccccc1)N1Cc2ccc(-c3ccc4[nH]ccc4c3)cc2C1=O
InChIInChI=1S/C27H20N4O2S/c32-25(30-27-29-12-13-34-27)24(17-4-2-1-3-5-17)31-16-21-7-6-19(15-22(21)26(31)33)18-8-9-23-20(14-18)10-11-28-23/h1-15,24,28H,16H2,(H,29,30,32)
InChIKeyGRSCCESMUDSCTN-UHFFFAOYSA-N
MW464.55 g/mol
LogP5.63
Rot. Bonds5

About 2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide

2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 135351534) has the molecular formula C27H20N4O2S and a molecular weight of 464.55 g/mol. Its IUPAC name is 2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID135351534
Molecular FormulaC27H20N4O2S
Molecular Weight464.55 g/mol
Exact Mass464.13
IUPAC Name2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(c1ccccc1)N1Cc2ccc(-c3ccc4[nH]ccc4c3)cc2C1=O
InChIInChI=1S/C27H20N4O2S/c32-25(30-27-29-12-13-34-27)24(17-4-2-1-3-5-17)31-16-21-7-6-19(15-22(21)26(31)33)18-8-9-23-20(14-18)10-11-28-23/h1-15,24,28H,16H2,(H,29,30,32)
InChIKeyGRSCCESMUDSCTN-UHFFFAOYSA-N
XLogP5.63
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.55
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide (CID 135351534) is 2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)C(c1ccccc1)N1Cc2ccc(-c3ccc4[nH]ccc4c3)cc2C1=O.
What is the InChIKey of 2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is GRSCCESMUDSCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O2S/c32-25(30-27-29-12-13-34-27)24(17-4-2-1-3-5-17)31-16-21-7-6-19(15-22(21)26(31)33)18-8-9-23-20(14-18)10-11-28-23/h1-15,24,28H,16H2,(H,29,30,32).
What are the key properties of 2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 464.55 g/mol, XLogP of 5.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 135351534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).