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

C10H7N3OS — CID 121225571

IUPACN-(6-cyano-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2ccc(C#N)cc2s1
InChIInChI=1S/C10H7N3OS/c1-6(14)12-10-13-8-3-2-7(5-11)4-9(8)15-10/h2-4H,1H3,(H,12,13,14)
InChIKeyJGSLDMQYARUFDJ-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.13
Rot. Bonds1

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

N-(6-cyano-1,3-benzothiazol-2-yl)acetamide (PubChem CID 121225571) has the molecular formula C10H7N3OS and a molecular weight of 217.25 g/mol. Its IUPAC name is N-(6-cyano-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(6-cyano-1,3-benzothiazol-2-yl)acetamide
PubChem CID121225571
Molecular FormulaC10H7N3OS
Molecular Weight217.25 g/mol
Exact Mass217.03
IUPAC NameN-(6-cyano-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2ccc(C#N)cc2s1
InChIInChI=1S/C10H7N3OS/c1-6(14)12-10-13-8-3-2-7(5-11)4-9(8)15-10/h2-4H,1H3,(H,12,13,14)
InChIKeyJGSLDMQYARUFDJ-UHFFFAOYSA-N
XLogP2.13
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(6-cyano-1,3-benzothiazol-2-yl)acetamide (CID 121225571) is N-(6-cyano-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(6-cyano-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(6-cyano-1,3-benzothiazol-2-yl)acetamide is CC(=O)Nc1nc2ccc(C#N)cc2s1.
What is the InChIKey of N-(6-cyano-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is JGSLDMQYARUFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3OS/c1-6(14)12-10-13-8-3-2-7(5-11)4-9(8)15-10/h2-4H,1H3,(H,12,13,14).
What are the key properties of N-(6-cyano-1,3-benzothiazol-2-yl)acetamide?
N-(6-cyano-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 217.25 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 121225571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).