N-(1,3-benzothiazol-6-yl)-2-cyano-2-phenylacetamide

C16H11N3OS — CID 107805412

IUPACN-(1,3-benzothiazol-6-yl)-2-cyano-2-phenylacetamide
SMILESN#CC(C(=O)Nc1ccc2ncsc2c1)c1ccccc1
InChIInChI=1S/C16H11N3OS/c17-9-13(11-4-2-1-3-5-11)16(20)19-12-6-7-14-15(8-12)21-10-18-14/h1-8,10,13H,(H,19,20)
InChIKeyWRGYQDISYXJJEU-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.54
Rot. Bonds3

About N-(1,3-benzothiazol-6-yl)-2-cyano-2-phenylacetamide

N-(1,3-benzothiazol-6-yl)-2-cyano-2-phenylacetamide (PubChem CID 107805412) has the molecular formula C16H11N3OS and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-2-cyano-2-phenylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-2-cyano-2-phenylacetamide
PubChem CID107805412
Molecular FormulaC16H11N3OS
Molecular Weight293.35 g/mol
Exact Mass293.06
IUPAC NameN-(1,3-benzothiazol-6-yl)-2-cyano-2-phenylacetamide
SMILESN#CC(C(=O)Nc1ccc2ncsc2c1)c1ccccc1
InChIInChI=1S/C16H11N3OS/c17-9-13(11-4-2-1-3-5-11)16(20)19-12-6-7-14-15(8-12)21-10-18-14/h1-8,10,13H,(H,19,20)
InChIKeyWRGYQDISYXJJEU-UHFFFAOYSA-N
XLogP3.54
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1,3-benzothiazol-6-yl)-2-phenylpropanamide
CID 103809401
N-(3-bromo-4-methylphenyl)-2-cyano-2-phenylacetamide
CID 63334572
2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide
CID 62878043
N-(1,3-benzothiazol-6-yl)-2-(methylamino)propanamide
CID 107805211
2-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxypropanamide
CID 135386759
2-cyano-N-(3-ethynylphenyl)-2-phenylacetamide
CID 62877869
N-(1,3-benzothiazol-6-yl)-2-bromobutanamide
CID 107804110
3-(1,3-benzothiazol-6-ylamino)-3-phenylpropanenitrile
CID 107804835
2-cyano-2-phenyl-N-pyrimidin-5-ylacetamide
CID 107588694
N-(4-bromo-3,5-dimethylphenyl)-2-cyano-2-phenylacetamide
CID 107574565
2-(azetidin-3-yl)-N-(1,3-benzothiazol-6-yl)propanamide
CID 107805144
2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-4-methylpentanamide
CID 103809416

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-2-cyano-2-phenylacetamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-2-cyano-2-phenylacetamide (CID 107805412) is N-(1,3-benzothiazol-6-yl)-2-cyano-2-phenylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-2-cyano-2-phenylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-2-cyano-2-phenylacetamide is N#CC(C(=O)Nc1ccc2ncsc2c1)c1ccccc1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-2-cyano-2-phenylacetamide?
The InChIKey is WRGYQDISYXJJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS/c17-9-13(11-4-2-1-3-5-11)16(20)19-12-6-7-14-15(8-12)21-10-18-14/h1-8,10,13H,(H,19,20).
What are the key properties of N-(1,3-benzothiazol-6-yl)-2-cyano-2-phenylacetamide?
N-(1,3-benzothiazol-6-yl)-2-cyano-2-phenylacetamide has a molecular weight of 293.35 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-2-cyano-2-phenylacetamide is sourced from PubChem (CID 107805412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).