N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide

C14H15N3O2S — CID 24575524

IUPACN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCC1CCc2nc(NC(=O)c3ccc(=O)[nH]c3)sc2C1
InChIInChI=1S/C14H15N3O2S/c1-8-2-4-10-11(6-8)20-14(16-10)17-13(19)9-3-5-12(18)15-7-9/h3,5,7-8H,2,4,6H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyFQHMGISQBGLGGH-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.21
Rot. Bonds2

About N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide

N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 24575524) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID24575524
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCC1CCc2nc(NC(=O)c3ccc(=O)[nH]c3)sc2C1
InChIInChI=1S/C14H15N3O2S/c1-8-2-4-10-11(6-8)20-14(16-10)17-13(19)9-3-5-12(18)15-7-9/h3,5,7-8H,2,4,6H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyFQHMGISQBGLGGH-UHFFFAOYSA-N
XLogP2.21
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide (CID 24575524) is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide is CC1CCc2nc(NC(=O)c3ccc(=O)[nH]c3)sc2C1.
What is the InChIKey of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is FQHMGISQBGLGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-8-2-4-10-11(6-8)20-14(16-10)17-13(19)9-3-5-12(18)15-7-9/h3,5,7-8H,2,4,6H2,1H3,(H,15,18)(H,16,17,19).
What are the key properties of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 24575524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).