3-[3-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]indol-1-yl]propanenitrile

C17H15N3O2S — CID 122158284

IUPAC3-[3-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]indol-1-yl]propanenitrile
SMILESCc1csc(=O)n1CC(=O)c1cn(CCC#N)c2ccccc12
InChIInChI=1S/C17H15N3O2S/c1-12-11-23-17(22)20(12)10-16(21)14-9-19(8-4-7-18)15-6-3-2-5-13(14)15/h2-3,5-6,9,11H,4,8,10H2,1H3
InChIKeyADJRMVZKNMKXKX-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.97
Rot. Bonds5

About 3-[3-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]indol-1-yl]propanenitrile

3-[3-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]indol-1-yl]propanenitrile (PubChem CID 122158284) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 3-[3-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]indol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[3-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]indol-1-yl]propanenitrile
PubChem CID122158284
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name3-[3-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]indol-1-yl]propanenitrile
SMILESCc1csc(=O)n1CC(=O)c1cn(CCC#N)c2ccccc12
InChIInChI=1S/C17H15N3O2S/c1-12-11-23-17(22)20(12)10-16(21)14-9-19(8-4-7-18)15-6-3-2-5-13(14)15/h2-3,5-6,9,11H,4,8,10H2,1H3
InChIKeyADJRMVZKNMKXKX-UHFFFAOYSA-N
XLogP2.97
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]indol-1-yl]propanenitrile?
The IUPAC name of 3-[3-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]indol-1-yl]propanenitrile (CID 122158284) is 3-[3-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]indol-1-yl]propanenitrile.
What is the SMILES notation for 3-[3-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]indol-1-yl]propanenitrile?
The canonical SMILES for 3-[3-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]indol-1-yl]propanenitrile is Cc1csc(=O)n1CC(=O)c1cn(CCC#N)c2ccccc12.
What is the InChIKey of 3-[3-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]indol-1-yl]propanenitrile?
The InChIKey is ADJRMVZKNMKXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-12-11-23-17(22)20(12)10-16(21)14-9-19(8-4-7-18)15-6-3-2-5-13(14)15/h2-3,5-6,9,11H,4,8,10H2,1H3.
What are the key properties of 3-[3-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]indol-1-yl]propanenitrile?
3-[3-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]indol-1-yl]propanenitrile has a molecular weight of 325.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]indol-1-yl]propanenitrile is sourced from PubChem (CID 122158284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).