2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

C15H14N4O2S — CID 29370303

IUPAC2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1nncs1
InChIInChI=1S/C15H14N4O2S/c1-10(20)19-7-6-11-4-2-3-5-12(11)13(19)8-14(21)17-15-18-16-9-22-15/h2-7,9,13H,8H2,1H3,(H,17,18,21)/t13-/m1/s1
InChIKeyPOPRIAKDWMEYPL-CYBMUJFWSA-N
MW314.37 g/mol
LogP2.44
Rot. Bonds3

About 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 29370303) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID29370303
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1nncs1
InChIInChI=1S/C15H14N4O2S/c1-10(20)19-7-6-11-4-2-3-5-12(11)13(19)8-14(21)17-15-18-16-9-22-15/h2-7,9,13H,8H2,1H3,(H,17,18,21)/t13-/m1/s1
InChIKeyPOPRIAKDWMEYPL-CYBMUJFWSA-N
XLogP2.44
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]benzamide
CID 26009427
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 8872295
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 26691267
ethyl 2-[2-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 18139413
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 43067104
4-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-N-methylbenzamide
CID 17478920
2-(2-acetyl-1H-isoquinolin-1-yl)-N-pentan-3-ylacetamide
CID 134044607
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dichlorophenyl)acetamide
CID 51229591
N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-2-hydroxybenzohydrazide
CID 18109177
N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-4-chlorobenzohydrazide
CID 51229364
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 25325947
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1-adamantyl)acetamide
CID 26687467

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 29370303) is 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1nncs1.
What is the InChIKey of 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is POPRIAKDWMEYPL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-10(20)19-7-6-11-4-2-3-5-12(11)13(19)8-14(21)17-15-18-16-9-22-15/h2-7,9,13H,8H2,1H3,(H,17,18,21)/t13-/m1/s1.
What are the key properties of 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 314.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 29370303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).