N-(3-methyl-1,3-benzothiazol-2-ylidene)-6-oxo-1H-pyridine-3-carboxamide

C14H11N3O2S — CID 2475852

IUPACN-(3-methyl-1,3-benzothiazol-2-ylidene)-6-oxo-1H-pyridine-3-carboxamide
SMILESCn1/c(=N/C(=O)c2ccc(=O)[nH]c2)sc2ccccc21
InChIInChI=1S/C14H11N3O2S/c1-17-10-4-2-3-5-11(10)20-14(17)16-13(19)9-6-7-12(18)15-8-9/h2-8H,1H3,(H,15,18)/b16-14-
InChIKeyJIICCYVBFXBTKO-PEZBUJJGSA-N
MW285.33 g/mol
LogP1.67
Rot. Bonds1

About N-(3-methyl-1,3-benzothiazol-2-ylidene)-6-oxo-1H-pyridine-3-carboxamide

N-(3-methyl-1,3-benzothiazol-2-ylidene)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 2475852) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-(3-methyl-1,3-benzothiazol-2-ylidene)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-benzothiazol-2-ylidene)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID2475852
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC NameN-(3-methyl-1,3-benzothiazol-2-ylidene)-6-oxo-1H-pyridine-3-carboxamide
SMILESCn1/c(=N/C(=O)c2ccc(=O)[nH]c2)sc2ccccc21
InChIInChI=1S/C14H11N3O2S/c1-17-10-4-2-3-5-11(10)20-14(17)16-13(19)9-6-7-12(18)15-8-9/h2-8H,1H3,(H,15,18)/b16-14-
InChIKeyJIICCYVBFXBTKO-PEZBUJJGSA-N
XLogP1.67
TPSA67.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-benzothiazol-2-ylidene)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-methyl-1,3-benzothiazol-2-ylidene)-6-oxo-1H-pyridine-3-carboxamide (CID 2475852) is N-(3-methyl-1,3-benzothiazol-2-ylidene)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methyl-1,3-benzothiazol-2-ylidene)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-methyl-1,3-benzothiazol-2-ylidene)-6-oxo-1H-pyridine-3-carboxamide is Cn1/c(=N/C(=O)c2ccc(=O)[nH]c2)sc2ccccc21.
What is the InChIKey of N-(3-methyl-1,3-benzothiazol-2-ylidene)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is JIICCYVBFXBTKO-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-17-10-4-2-3-5-11(10)20-14(17)16-13(19)9-6-7-12(18)15-8-9/h2-8H,1H3,(H,15,18)/b16-14-.
What are the key properties of N-(3-methyl-1,3-benzothiazol-2-ylidene)-6-oxo-1H-pyridine-3-carboxamide?
N-(3-methyl-1,3-benzothiazol-2-ylidene)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-benzothiazol-2-ylidene)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 2475852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).