N-(2-cyanophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide

C12H9N3O2S — CID 63312447

IUPACN-(2-cyanophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)Cn1ccsc1=O
InChIInChI=1S/C12H9N3O2S/c13-7-9-3-1-2-4-10(9)14-11(16)8-15-5-6-18-12(15)17/h1-6H,8H2,(H,14,16)
InChIKeyHLJLOLAOKSVWDL-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.42
Rot. Bonds3

About N-(2-cyanophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide

N-(2-cyanophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 63312447) has the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID63312447
Molecular FormulaC12H9N3O2S
Molecular Weight259.29 g/mol
Exact Mass259.04
IUPAC NameN-(2-cyanophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)Cn1ccsc1=O
InChIInChI=1S/C12H9N3O2S/c13-7-9-3-1-2-4-10(9)14-11(16)8-15-5-6-18-12(15)17/h1-6H,8H2,(H,14,16)
InChIKeyHLJLOLAOKSVWDL-UHFFFAOYSA-N
XLogP1.42
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-4-(2-oxo-1,3-thiazol-3-yl)butanamide
CID 63312495
N-(2-cyanophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7467854
N-(2-cyanophenyl)-2-(4,5-dicyanoimidazol-1-yl)acetamide
CID 115944720
N-(2-cyanophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63281967
N-(2-cyanophenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064373
N-(2-cyanophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 798673
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
2-(2-oxo-1,3-thiazol-3-yl)acetohydrazide
CID 63578715
N-(2-cyanophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999750
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
N-(2-cyanophenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 2706886
N-(2-cyanophenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 113244452

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide (CID 63312447) is N-(2-cyanophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide is N#Cc1ccccc1NC(=O)Cn1ccsc1=O.
What is the InChIKey of N-(2-cyanophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is HLJLOLAOKSVWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S/c13-7-9-3-1-2-4-10(9)14-11(16)8-15-5-6-18-12(15)17/h1-6H,8H2,(H,14,16).
What are the key properties of N-(2-cyanophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
N-(2-cyanophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 259.29 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 63312447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).