3-oxo-N-(4-pyridin-2-ylphenyl)-1,2-benzothiazole-2-carboxamide

C19H13N3O2S — CID 90654532

IUPAC3-oxo-N-(4-pyridin-2-ylphenyl)-1,2-benzothiazole-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccccn2)cc1)n1sc2ccccc2c1=O
InChIInChI=1S/C19H13N3O2S/c23-18-15-5-1-2-7-17(15)25-22(18)19(24)21-14-10-8-13(9-11-14)16-6-3-4-12-20-16/h1-12H,(H,21,24)
InChIKeyIXHDMUUZYOETNX-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.21
Rot. Bonds2

About 3-oxo-N-(4-pyridin-2-ylphenyl)-1,2-benzothiazole-2-carboxamide

3-oxo-N-(4-pyridin-2-ylphenyl)-1,2-benzothiazole-2-carboxamide (PubChem CID 90654532) has the molecular formula C19H13N3O2S and a molecular weight of 347.40 g/mol. Its IUPAC name is 3-oxo-N-(4-pyridin-2-ylphenyl)-1,2-benzothiazole-2-carboxamide.

Molecular Properties

Compound Name3-oxo-N-(4-pyridin-2-ylphenyl)-1,2-benzothiazole-2-carboxamide
PubChem CID90654532
Molecular FormulaC19H13N3O2S
Molecular Weight347.40 g/mol
Exact Mass347.07
IUPAC Name3-oxo-N-(4-pyridin-2-ylphenyl)-1,2-benzothiazole-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccccn2)cc1)n1sc2ccccc2c1=O
InChIInChI=1S/C19H13N3O2S/c23-18-15-5-1-2-7-17(15)25-22(18)19(24)21-14-10-8-13(9-11-14)16-6-3-4-12-20-16/h1-12H,(H,21,24)
InChIKeyIXHDMUUZYOETNX-UHFFFAOYSA-N
XLogP4.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-N'-[(pyridin-3-yl)methyl]urea
CID 134814219
N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-3-(pyridin-3-yl)azetidine-1-carboxamide
CID 145704651
N-[4-[(3-oxo-1H-isoindol-2-yl)methyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 155548427
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 2578261
N-(5-methyl-2-pyridinyl)-3-oxo-1,2-benzothiazole-2-carboxamide
CID 90654522
3-oxo-N-(pyridin-2-ylmethyl)-1,2-benzothiazole-2-carboxamide
CID 90654523
3-oxo-N-(2-pyridin-2-ylethyl)-1,2-benzothiazole-2-carboxamide
CID 90654524
2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyridin-2-ylphenyl)acetamide
CID 90654538
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 4170167
N-[4-(pyridin-2-ylmethylcarbamoyl)phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 57509686
N-[4-(2-pyridin-3-ylethylcarbamoyl)phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 57509769
N-[4-(2-pyridin-2-ylethylcarbamoyl)phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 57509804

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(4-pyridin-2-ylphenyl)-1,2-benzothiazole-2-carboxamide?
The IUPAC name of 3-oxo-N-(4-pyridin-2-ylphenyl)-1,2-benzothiazole-2-carboxamide (CID 90654532) is 3-oxo-N-(4-pyridin-2-ylphenyl)-1,2-benzothiazole-2-carboxamide.
What is the SMILES notation for 3-oxo-N-(4-pyridin-2-ylphenyl)-1,2-benzothiazole-2-carboxamide?
The canonical SMILES for 3-oxo-N-(4-pyridin-2-ylphenyl)-1,2-benzothiazole-2-carboxamide is O=C(Nc1ccc(-c2ccccn2)cc1)n1sc2ccccc2c1=O.
What is the InChIKey of 3-oxo-N-(4-pyridin-2-ylphenyl)-1,2-benzothiazole-2-carboxamide?
The InChIKey is IXHDMUUZYOETNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2S/c23-18-15-5-1-2-7-17(15)25-22(18)19(24)21-14-10-8-13(9-11-14)16-6-3-4-12-20-16/h1-12H,(H,21,24).
What are the key properties of 3-oxo-N-(4-pyridin-2-ylphenyl)-1,2-benzothiazole-2-carboxamide?
3-oxo-N-(4-pyridin-2-ylphenyl)-1,2-benzothiazole-2-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(4-pyridin-2-ylphenyl)-1,2-benzothiazole-2-carboxamide is sourced from PubChem (CID 90654532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).