N-(5-methyl-2-pyridinyl)-3-oxo-1,2-benzothiazole-2-carboxamide

C14H11N3O2S — CID 90654522

IUPACN-(5-methyl-2-pyridinyl)-3-oxo-1,2-benzothiazole-2-carboxamide
SMILESCc1ccc(NC(=O)n2sc3ccccc3c2=O)nc1
InChIInChI=1S/C14H11N3O2S/c1-9-6-7-12(15-8-9)16-14(19)17-13(18)10-4-2-3-5-11(10)20-17/h2-8H,1H3,(H,15,16,19)
InChIKeyLHHLFWVBIOPIIG-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.85
Rot. Bonds1

About N-(5-methyl-2-pyridinyl)-3-oxo-1,2-benzothiazole-2-carboxamide

N-(5-methyl-2-pyridinyl)-3-oxo-1,2-benzothiazole-2-carboxamide (PubChem CID 90654522) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-3-oxo-1,2-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-3-oxo-1,2-benzothiazole-2-carboxamide
PubChem CID90654522
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC NameN-(5-methyl-2-pyridinyl)-3-oxo-1,2-benzothiazole-2-carboxamide
SMILESCc1ccc(NC(=O)n2sc3ccccc3c2=O)nc1
InChIInChI=1S/C14H11N3O2S/c1-9-6-7-12(15-8-9)16-14(19)17-13(18)10-4-2-3-5-11(10)20-17/h2-8H,1H3,(H,15,16,19)
InChIKeyLHHLFWVBIOPIIG-UHFFFAOYSA-N
XLogP2.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-2-yl)benzamide
CID 219990
N-Benzoyl-N'-(2-pyridinyl)thiourea
CID 708470
4-Methyl-2-phthalimidopyridine
CID 10999049
2-methyl-N-pyridin-2-ylbenzamide
CID 799062
N-(pyridin-2-ylcarbamoyl)benzamide
CID 2985532
Benzamide, 4-(acetylamino)-N-2-pyridinyl-
CID 215925
N-(3-Methyl-2-pyridinyl)benzamide
CID 90211
2-Methyl-N-(4-methyl-2-pyridinyl)benzamide
CID 3363325
2-(4-Methylpyrimidin-2-yl)-1,2-benzothiazol-3-one
CID 2408437
6-methyl-N-2-pyridinyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2970481
5-ethyl-4-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 4789493
5-fluoro-N-(4-methylpyridin-2-yl)-1-benzothiophene-2-carboxamide
CID 4792409

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-3-oxo-1,2-benzothiazole-2-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-3-oxo-1,2-benzothiazole-2-carboxamide (CID 90654522) is N-(5-methyl-2-pyridinyl)-3-oxo-1,2-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-3-oxo-1,2-benzothiazole-2-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-3-oxo-1,2-benzothiazole-2-carboxamide is Cc1ccc(NC(=O)n2sc3ccccc3c2=O)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-3-oxo-1,2-benzothiazole-2-carboxamide?
The InChIKey is LHHLFWVBIOPIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-9-6-7-12(15-8-9)16-14(19)17-13(18)10-4-2-3-5-11(10)20-17/h2-8H,1H3,(H,15,16,19).
What are the key properties of N-(5-methyl-2-pyridinyl)-3-oxo-1,2-benzothiazole-2-carboxamide?
N-(5-methyl-2-pyridinyl)-3-oxo-1,2-benzothiazole-2-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-3-oxo-1,2-benzothiazole-2-carboxamide is sourced from PubChem (CID 90654522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).