5-[4-(2,6-dimethoxy-3-pyridinyl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one

C13H12N4O4S — CID 140960331

IUPAC5-[4-(2,6-dimethoxy-3-pyridinyl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESCOc1ccc(-c2cnn(C3=CC(=O)NS3=O)c2)c(OC)n1
InChIInChI=1S/C13H12N4O4S/c1-20-11-4-3-9(13(15-11)21-2)8-6-14-17(7-8)12-5-10(18)16-22(12)19/h3-7H,1-2H3,(H,16,18)
InChIKeyIBFPLZWYLUZCCK-UHFFFAOYSA-N
MW320.33 g/mol
LogP0.55
Rot. Bonds4

About 5-[4-(2,6-dimethoxy-3-pyridinyl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one

5-[4-(2,6-dimethoxy-3-pyridinyl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one (PubChem CID 140960331) has the molecular formula C13H12N4O4S and a molecular weight of 320.33 g/mol. Its IUPAC name is 5-[4-(2,6-dimethoxy-3-pyridinyl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[4-(2,6-dimethoxy-3-pyridinyl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
PubChem CID140960331
Molecular FormulaC13H12N4O4S
Molecular Weight320.33 g/mol
Exact Mass320.06
IUPAC Name5-[4-(2,6-dimethoxy-3-pyridinyl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESCOc1ccc(-c2cnn(C3=CC(=O)NS3=O)c2)c(OC)n1
InChIInChI=1S/C13H12N4O4S/c1-20-11-4-3-9(13(15-11)21-2)8-6-14-17(7-8)12-5-10(18)16-22(12)19/h3-7H,1-2H3,(H,16,18)
InChIKeyIBFPLZWYLUZCCK-UHFFFAOYSA-N
XLogP0.55
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

1-oxo-5-(4-pyrimidin-5-ylpyrazol-1-yl)-1,2-thiazol-3-one
CID 140960291
5-[4-(6-fluoro-3-pyridinyl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[6-(6-piperidin-1-yl-3-pyridinyl)-3-pyridinyl]pyrazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[4-[6-(6-pyrrolidin-1-yl-3-pyridinyl)-3-pyridinyl]pyrazol-1-yl]-1,2-thiazol-3-one
CID 162221974
5-[4-[1-(benzenesulfonyl)indol-3-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960577
4-[4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]phenoxy]benzonitrile
CID 140960454
5-[4-[4-[(2,6-dimethylphenyl)methoxy]phenyl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960605
5-[4-(3-bromophenyl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960229
5-[5-(6-methoxypyridazin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960421
5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one
CID 140960424
N-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]propane-2-sulfonamide
CID 145258467
5-[4-[[(1R)-4-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 67986907
2,6-dimethoxy-3-(6-methyl-3-pyridinyl)pyridine
CID 67474608
5-(5-methylindazol-1-yl)-1-oxo-1,2-thiazol-3-one
CID 140960375

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,6-dimethoxy-3-pyridinyl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The IUPAC name of 5-[4-(2,6-dimethoxy-3-pyridinyl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one (CID 140960331) is 5-[4-(2,6-dimethoxy-3-pyridinyl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-[4-(2,6-dimethoxy-3-pyridinyl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The canonical SMILES for 5-[4-(2,6-dimethoxy-3-pyridinyl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one is COc1ccc(-c2cnn(C3=CC(=O)NS3=O)c2)c(OC)n1.
What is the InChIKey of 5-[4-(2,6-dimethoxy-3-pyridinyl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The InChIKey is IBFPLZWYLUZCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4S/c1-20-11-4-3-9(13(15-11)21-2)8-6-14-17(7-8)12-5-10(18)16-22(12)19/h3-7H,1-2H3,(H,16,18).
What are the key properties of 5-[4-(2,6-dimethoxy-3-pyridinyl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one?
5-[4-(2,6-dimethoxy-3-pyridinyl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 320.33 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,6-dimethoxy-3-pyridinyl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 140960331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).