N-[(2,6-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide

C16H15N3O2S — CID 70651178

IUPACN-[(2,6-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
SMILESCc1cccc(C)c1CNC(=O)n1sc2ncccc2c1=O
InChIInChI=1S/C16H15N3O2S/c1-10-5-3-6-11(2)13(10)9-18-16(21)19-15(20)12-7-4-8-17-14(12)22-19/h3-8H,9H2,1-2H3,(H,18,21)
InChIKeyPWZMFJUOUGZAOX-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.83
Rot. Bonds2

About N-[(2,6-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide

N-[(2,6-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide (PubChem CID 70651178) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[(2,6-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,6-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
PubChem CID70651178
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-[(2,6-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
SMILESCc1cccc(C)c1CNC(=O)n1sc2ncccc2c1=O
InChIInChI=1S/C16H15N3O2S/c1-10-5-3-6-11(2)13(10)9-18-16(21)19-15(20)12-7-4-8-17-14(12)22-19/h3-8H,9H2,1-2H3,(H,18,21)
InChIKeyPWZMFJUOUGZAOX-UHFFFAOYSA-N
XLogP2.83
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(N-hydroxy-4-((3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)methyl)benzamide)
CID 126569528
(E)-N-hydroxy-3-[2-(pyridine-3-carbonyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide
CID 24958452
N-{5-[(3-methylbutyl)carbamoyl]pyridin-2-yl}-1,3-dihydro-2H-isoindole-2-carboxamide
CID 57509986
3-oxo-N-(2-pyridin-2-ylethyl)-1,2-benzothiazole-2-carboxamide
CID 90654524
2-(4-Butylphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one
CID 393169
2-Benzyl-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 5271649
2-(2,6-Dimethylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 10332643
2-(4-Methylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 13554995
N-{4-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]butyl}-1,3-dihydro-2H-isoindole-2-carboxamide
CID 57509972
N-[6-(pyridine-3-carbonylamino)hexyl]-1,3-dihydroisoindole-2-carboxamide
CID 57510213
4-fluoro-N-[6-(pyridine-3-carbonylamino)hexyl]-1,3-dihydroisoindole-2-carboxamide
CID 57510288
5-fluoro-N-[6-(pyridine-3-carbonylamino)hexyl]-1,3-dihydroisoindole-2-carboxamide
CID 57510289

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
The IUPAC name of N-[(2,6-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide (CID 70651178) is N-[(2,6-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2,6-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(2,6-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide is Cc1cccc(C)c1CNC(=O)n1sc2ncccc2c1=O.
What is the InChIKey of N-[(2,6-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
The InChIKey is PWZMFJUOUGZAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-10-5-3-6-11(2)13(10)9-18-16(21)19-15(20)12-7-4-8-17-14(12)22-19/h3-8H,9H2,1-2H3,(H,18,21).
What are the key properties of N-[(2,6-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
N-[(2,6-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide is sourced from PubChem (CID 70651178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).