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

C15H15N3O2S — CID 855742

IUPACN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
SMILESCC1(C)CC(=O)c2sc(NC(=O)c3ccccn3)nc2C1
InChIInChI=1S/C15H15N3O2S/c1-15(2)7-10-12(11(19)8-15)21-14(17-10)18-13(20)9-5-3-4-6-16-9/h3-6H,7-8H2,1-2H3,(H,17,18,20)
InChIKeyIDFVIKAHHSYMAP-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.95
Rot. Bonds2

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

N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide (PubChem CID 855742) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
PubChem CID855742
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
SMILESCC1(C)CC(=O)c2sc(NC(=O)c3ccccn3)nc2C1
InChIInChI=1S/C15H15N3O2S/c1-15(2)7-10-12(11(19)8-15)21-14(17-10)18-13(20)9-5-3-4-6-16-9/h3-6H,7-8H2,1-2H3,(H,17,18,20)
InChIKeyIDFVIKAHHSYMAP-UHFFFAOYSA-N
XLogP2.95
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)quinoline-5-carboxamide
CID 43816300
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,2-oxazole-5-carboxamide
CID 18587211
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1-oxidopyridin-1-ium-2-carboxamide
CID 60510906
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide
CID 7266998
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-methyl-1-benzothiophene-2-carboxamide
CID 55850540
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1-ethylpyrazole-3-carboxamide
CID 42138533
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 4163956
N-[2-[(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)carbamoyl]phenyl]thiophene-3-carboxamide
CID 71880135
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 78897382
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-ethoxybenzamide
CID 3219049
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole-2-carboxamide
CID 167772342
(2R)-2-chloro-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)propanamide
CID 92660282

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide (CID 855742) is N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide is CC1(C)CC(=O)c2sc(NC(=O)c3ccccn3)nc2C1.
What is the InChIKey of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is IDFVIKAHHSYMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-15(2)7-10-12(11(19)8-15)21-14(17-10)18-13(20)9-5-3-4-6-16-9/h3-6H,7-8H2,1-2H3,(H,17,18,20).
What are the key properties of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 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)pyridine-2-carboxamide is sourced from PubChem (CID 855742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).