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

C12H11N3OS — CID 108767773

IUPAC2-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
SMILESCCc1ccc2nc(NC(=O)CC#N)sc2c1
InChIInChI=1S/C12H11N3OS/c1-2-8-3-4-9-10(7-8)17-12(14-9)15-11(16)5-6-13/h3-4,7H,2,5H2,1H3,(H,14,15,16)
InChIKeyOWKYKSZLDOPQMV-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.71
Rot. Bonds3

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

2-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 108767773) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 2-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID108767773
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name2-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
SMILESCCc1ccc2nc(NC(=O)CC#N)sc2c1
InChIInChI=1S/C12H11N3OS/c1-2-8-3-4-9-10(7-8)17-12(14-9)15-11(16)5-6-13/h3-4,7H,2,5H2,1H3,(H,14,15,16)
InChIKeyOWKYKSZLDOPQMV-UHFFFAOYSA-N
XLogP2.71
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide
CID 168521756
2-(3,4-dimethoxyphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 8873943
3-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
CID 108767769
2-[2-(propanoylamino)-1,3-benzothiazol-6-yl]acetic acid
CID 29247510
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenoxy)propanamide
CID 108802853
6-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 26243830
N-[(4-ethylphenyl)methyl]-3-[2-(propanoylamino)-1,3-benzothiazol-6-yl]propanamide
CID 46289626
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 108745532
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide
CID 16551618
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
CID 53269145
N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4,5-trimethoxybenzamide
CID 2452584

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide (CID 108767773) is 2-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide is CCc1ccc2nc(NC(=O)CC#N)sc2c1.
What is the InChIKey of 2-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is OWKYKSZLDOPQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-2-8-3-4-9-10(7-8)17-12(14-9)15-11(16)5-6-13/h3-4,7H,2,5H2,1H3,(H,14,15,16).
What are the key properties of 2-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide?
2-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 245.31 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 108767773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).