N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide

C9H10N2O2S — CID 597793

IUPACN-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C9H10N2O2S/c1-5(12)10-9-11-6-3-2-4-7(13)8(6)14-9/h2-4H2,1H3,(H,10,11,12)
InChIKeyVXXUKWLHWFFUNS-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.62
Rot. Bonds1

About N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide

N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide (PubChem CID 597793) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide
PubChem CID597793
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC NameN-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C9H10N2O2S/c1-5(12)10-9-11-6-3-2-4-7(13)8(6)14-9/h2-4H2,1H3,(H,10,11,12)
InChIKeyVXXUKWLHWFFUNS-UHFFFAOYSA-N
XLogP1.62
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide (CID 597793) is N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide is CC(=O)Nc1nc2c(s1)C(=O)CCC2.
What is the InChIKey of N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is VXXUKWLHWFFUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-5(12)10-9-11-6-3-2-4-7(13)8(6)14-9/h2-4H2,1H3,(H,10,11,12).
What are the key properties of N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide?
N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 210.26 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 597793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).