2-(2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide

C18H14N4O2S — CID 51129791

IUPAC2-(2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESO=C(CC1C(=O)Nc2ccccc21)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C18H14N4O2S/c23-15(10-13-12-8-4-5-9-14(12)19-17(13)24)20-18-21-16(22-25-18)11-6-2-1-3-7-11/h1-9,13H,10H2,(H,19,24)(H,20,21,22,23)
InChIKeyPQSAAPPASBBWDV-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.27
Rot. Bonds4

About 2-(2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide

2-(2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide (PubChem CID 51129791) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-(2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
PubChem CID51129791
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name2-(2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESO=C(CC1C(=O)Nc2ccccc21)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C18H14N4O2S/c23-15(10-13-12-8-4-5-9-14(12)19-17(13)24)20-18-21-16(22-25-18)11-6-2-1-3-7-11/h1-9,13H,10H2,(H,19,24)(H,20,21,22,23)
InChIKeyPQSAAPPASBBWDV-UHFFFAOYSA-N
XLogP3.27
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide?
The IUPAC name of 2-(2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide (CID 51129791) is 2-(2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for 2-(2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide is O=C(CC1C(=O)Nc2ccccc21)Nc1nc(-c2ccccc2)ns1.
What is the InChIKey of 2-(2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide?
The InChIKey is PQSAAPPASBBWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c23-15(10-13-12-8-4-5-9-14(12)19-17(13)24)20-18-21-16(22-25-18)11-6-2-1-3-7-11/h1-9,13H,10H2,(H,19,24)(H,20,21,22,23).
What are the key properties of 2-(2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide?
2-(2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide has a molecular weight of 350.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 51129791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).