N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide

C12H10N4O2S — CID 168521756

IUPACN-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)CC#N)cc2s1
InChIInChI=1S/C12H10N4O2S/c1-7(17)14-12-16-9-3-2-8(6-10(9)19-12)15-11(18)4-5-13/h2-3,6H,4H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyZGNZBLJURMELAU-UHFFFAOYSA-N
MW274.31 g/mol
LogP2.11
Rot. Bonds3

About N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide

N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide (PubChem CID 168521756) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide
PubChem CID168521756
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC NameN-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)CC#N)cc2s1
InChIInChI=1S/C12H10N4O2S/c1-7(17)14-12-16-9-3-2-8(6-10(9)19-12)15-11(18)4-5-13/h2-3,6H,4H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyZGNZBLJURMELAU-UHFFFAOYSA-N
XLogP2.11
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 108767773
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 46290994
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyclohexylacetamide
CID 46290973
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)propanamide
CID 55769442
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022
2-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,4-dimethylphenyl)acetamide
CID 46289672
N-(2-cyano-1,3-benzothiazol-6-yl)acetamide
CID 45077726
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(1-adamantyl)acetamide
CID 3981360
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51123615
3-oxo-N-[6-[(2-phenylacetyl)amino]-1,3-benzothiazol-2-yl]butanamide
CID 57257022
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(2-cyanophenyl)sulfanylbenzamide
CID 55769470
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(2,4-difluorophenoxy)acetamide
CID 55969597

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide?
The IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide (CID 168521756) is N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide.
What is the SMILES notation for N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide?
The canonical SMILES for N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide is CC(=O)Nc1nc2ccc(NC(=O)CC#N)cc2s1.
What is the InChIKey of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide?
The InChIKey is ZGNZBLJURMELAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c1-7(17)14-12-16-9-3-2-8(6-10(9)19-12)15-11(18)4-5-13/h2-3,6H,4H2,1H3,(H,15,18)(H,14,16,17).
What are the key properties of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide?
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide has a molecular weight of 274.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide is sourced from PubChem (CID 168521756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).