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

C16H16N2O2S — CID 708275

IUPACN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide
SMILESCC1(C)CC(=O)c2sc(NC(=O)c3ccccc3)nc2C1
InChIInChI=1S/C16H16N2O2S/c1-16(2)8-11-13(12(19)9-16)21-15(17-11)18-14(20)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,17,18,20)
InChIKeyHRYGWQGTSUEQIC-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.55
Rot. Bonds2

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

N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 708275) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide
PubChem CID708275
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide
SMILESCC1(C)CC(=O)c2sc(NC(=O)c3ccccc3)nc2C1
InChIInChI=1S/C16H16N2O2S/c1-16(2)8-11-13(12(19)9-16)21-15(17-11)18-14(20)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,17,18,20)
InChIKeyHRYGWQGTSUEQIC-UHFFFAOYSA-N
XLogP3.55
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide (CID 708275) is N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide is CC1(C)CC(=O)c2sc(NC(=O)c3ccccc3)nc2C1.
What is the InChIKey of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is HRYGWQGTSUEQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-16(2)8-11-13(12(19)9-16)21-15(17-11)18-14(20)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,17,18,20).
What are the key properties of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide?
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 300.38 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 708275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).