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

C27H18F2N4O2S — CID 135351569

IUPAC2-(2,5-difluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(c1cc(F)ccc1F)N1Cc2ccc(-c3ccc4[nH]ccc4c3)cc2C1=O
InChIInChI=1S/C27H18F2N4O2S/c28-19-4-5-22(29)21(13-19)24(25(34)32-27-31-9-10-36-27)33-14-18-2-1-16(12-20(18)26(33)35)15-3-6-23-17(11-15)7-8-30-23/h1-13,24,30H,14H2,(H,31,32,34)
InChIKeyZWKKWXZOALSENU-UHFFFAOYSA-N
MW500.53 g/mol
LogP5.91
Rot. Bonds5

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

2-(2,5-difluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 135351569) has the molecular formula C27H18F2N4O2S and a molecular weight of 500.53 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID135351569
Molecular FormulaC27H18F2N4O2S
Molecular Weight500.53 g/mol
Exact Mass500.11
IUPAC Name2-(2,5-difluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(c1cc(F)ccc1F)N1Cc2ccc(-c3ccc4[nH]ccc4c3)cc2C1=O
InChIInChI=1S/C27H18F2N4O2S/c28-19-4-5-22(29)21(13-19)24(25(34)32-27-31-9-10-36-27)33-14-18-2-1-16(12-20(18)26(33)35)15-3-6-23-17(11-15)7-8-30-23/h1-13,24,30H,14H2,(H,31,32,34)
InChIKeyZWKKWXZOALSENU-UHFFFAOYSA-N
XLogP5.91
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.53
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2,5-difluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 135351569) is 2-(2,5-difluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,5-difluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)C(c1cc(F)ccc1F)N1Cc2ccc(-c3ccc4[nH]ccc4c3)cc2C1=O.
What is the InChIKey of 2-(2,5-difluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is ZWKKWXZOALSENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F2N4O2S/c28-19-4-5-22(29)21(13-19)24(25(34)32-27-31-9-10-36-27)33-14-18-2-1-16(12-20(18)26(33)35)15-3-6-23-17(11-15)7-8-30-23/h1-13,24,30H,14H2,(H,31,32,34).
What are the key properties of 2-(2,5-difluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-(2,5-difluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 500.53 g/mol, XLogP of 5.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 135351569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).