2-(1H-benzimidazol-2-yl)-2-cyano-N-(1,3-thiazol-2-yl)acetamide

C13H9N5OS — CID 71910410

IUPAC2-(1H-benzimidazol-2-yl)-2-cyano-N-(1,3-thiazol-2-yl)acetamide
SMILESN#CC(C(=O)Nc1nccs1)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H9N5OS/c14-7-8(12(19)18-13-15-5-6-20-13)11-16-9-3-1-2-4-10(9)17-11/h1-6,8H,(H,16,17)(H,15,18,19)
InChIKeyOMXUVAYNVGIBAM-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.27
Rot. Bonds3

About 2-(1H-benzimidazol-2-yl)-2-cyano-N-(1,3-thiazol-2-yl)acetamide

2-(1H-benzimidazol-2-yl)-2-cyano-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 71910410) has the molecular formula C13H9N5OS and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-2-cyano-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-2-cyano-N-(1,3-thiazol-2-yl)acetamide
PubChem CID71910410
Molecular FormulaC13H9N5OS
Molecular Weight283.32 g/mol
Exact Mass283.05
IUPAC Name2-(1H-benzimidazol-2-yl)-2-cyano-N-(1,3-thiazol-2-yl)acetamide
SMILESN#CC(C(=O)Nc1nccs1)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H9N5OS/c14-7-8(12(19)18-13-15-5-6-20-13)11-16-9-3-1-2-4-10(9)17-11/h1-6,8H,(H,16,17)(H,15,18,19)
InChIKeyOMXUVAYNVGIBAM-UHFFFAOYSA-N
XLogP2.27
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-benzimidazol-2-yl)-2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 71930597
2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide
CID 6500981
3-(1H-benzimidazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 18145579
(2R)-2-(1H-benzimidazol-2-yl)-5,5-dimethyl-3-oxohexanenitrile
CID 51574329
2-(1H-benzimidazol-2-yl)-3-oxo-4-phenoxybutanenitrile
CID 4157814
(2S)-2-(1H-benzimidazol-2-yl)-4-naphthalen-1-yl-3-oxobutanenitrile
CID 2376701
2-(1H-benzimidazol-2-yl)-4-[[5-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-3-oxobutanenitrile
CID 4829491
N-[1-(1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-2-carboxamide
CID 110468003
(2S)-2-(1H-benzimidazol-2-yl)-3-oxo-6-pyridin-2-ylhexanenitrile
CID 97083871
2-(1H-benzimidazol-2-yl)-3-cyclohexyl-3-oxopropanenitrile
CID 2999322
(2R)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-3-oxopropanenitrile
CID 6928339
2-(1H-benzimidazol-2-yl)-3-oxooctanenitrile
CID 47108252

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-2-cyano-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-2-cyano-N-(1,3-thiazol-2-yl)acetamide (CID 71910410) is 2-(1H-benzimidazol-2-yl)-2-cyano-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-2-cyano-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-2-cyano-N-(1,3-thiazol-2-yl)acetamide is N#CC(C(=O)Nc1nccs1)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-2-cyano-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is OMXUVAYNVGIBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5OS/c14-7-8(12(19)18-13-15-5-6-20-13)11-16-9-3-1-2-4-10(9)17-11/h1-6,8H,(H,16,17)(H,15,18,19).
What are the key properties of 2-(1H-benzimidazol-2-yl)-2-cyano-N-(1,3-thiazol-2-yl)acetamide?
2-(1H-benzimidazol-2-yl)-2-cyano-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 283.32 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-2-cyano-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 71910410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).