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

C14H12N2O2S — CID 877583

IUPACN-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2c(s1)C(=O)CCC2)c1ccccc1
InChIInChI=1S/C14H12N2O2S/c17-11-8-4-7-10-12(11)19-14(15-10)16-13(18)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,15,16,18)
InChIKeyLISKAHLJJCITTJ-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.91
Rot. Bonds2

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

N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide (PubChem CID 877583) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide
PubChem CID877583
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC NameN-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2c(s1)C(=O)CCC2)c1ccccc1
InChIInChI=1S/C14H12N2O2S/c17-11-8-4-7-10-12(11)19-14(15-10)16-13(18)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,15,16,18)
InChIKeyLISKAHLJJCITTJ-UHFFFAOYSA-N
XLogP2.91
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.91
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)benzamide?
The IUPAC name of N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide (CID 877583) is N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide is O=C(Nc1nc2c(s1)C(=O)CCC2)c1ccccc1.
What is the InChIKey of N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is LISKAHLJJCITTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c17-11-8-4-7-10-12(11)19-14(15-10)16-13(18)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,15,16,18).
What are the key properties of N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide?
N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 272.33 g/mol, XLogP of 2.91, 2 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)benzamide is sourced from PubChem (CID 877583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).