5-[5-(6-methoxypyridazin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one

C15H11N5O3S — CID 140960421

IUPAC5-[5-(6-methoxypyridazin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESCOc1ccc(-c2ccc3c(cnn3C3=CC(=O)NS3=O)c2)nn1
InChIInChI=1S/C15H11N5O3S/c1-23-14-5-3-11(17-18-14)9-2-4-12-10(6-9)8-16-20(12)15-7-13(21)19-24(15)22/h2-8H,1H3,(H,19,21)
InChIKeyONEQFZFVZNRCOR-UHFFFAOYSA-N
MW341.35 g/mol
LogP1.09
Rot. Bonds3

About 5-[5-(6-methoxypyridazin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one

5-[5-(6-methoxypyridazin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one (PubChem CID 140960421) has the molecular formula C15H11N5O3S and a molecular weight of 341.35 g/mol. Its IUPAC name is 5-[5-(6-methoxypyridazin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[5-(6-methoxypyridazin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
PubChem CID140960421
Molecular FormulaC15H11N5O3S
Molecular Weight341.35 g/mol
Exact Mass341.06
IUPAC Name5-[5-(6-methoxypyridazin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESCOc1ccc(-c2ccc3c(cnn3C3=CC(=O)NS3=O)c2)nn1
InChIInChI=1S/C15H11N5O3S/c1-23-14-5-3-11(17-18-14)9-2-4-12-10(6-9)8-16-20(12)15-7-13(21)19-24(15)22/h2-8H,1H3,(H,19,21)
InChIKeyONEQFZFVZNRCOR-UHFFFAOYSA-N
XLogP1.09
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-oxo-5-[5-(1H-pyrazol-4-yl)indazol-1-yl]-1,2-thiazol-3-one
CID 140960313
5-(5-methylindazol-1-yl)-1-oxo-1,2-thiazol-3-one
CID 140960375
5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960349
5-[5-(6-methoxypyridazin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(6-methoxy-2-pyridinyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(6-methylpyridazin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(6-piperidin-1-yl-2-pyridinyl)indazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[5-(trifluoromethyl)-2-pyridinyl]indazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[6-(trifluoromethyl)-2-pyridinyl]indazol-1-yl]-1,2-thiazol-3-one
CID 158867051
1-oxo-5-[5-[3-(2-oxopropyl)phenyl]indazol-1-yl]-1,2-thiazol-3-one
CID 159323023
5-[5-(5-morpholin-4-ylpyrazin-2-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960413
5-[5-(2-methylindazol-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960505
5-[5-[3-(morpholin-4-ylmethyl)phenyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960539
5-[5-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960429
5-[4-(2,6-dimethoxy-3-pyridinyl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960331
3-methoxy-6-(6-methoxy-3-pyridinyl)pyridazine
CID 24851547
5-(5-methyl-3-phenylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one
CID 140960441

Frequently Asked Questions

What is the IUPAC name of 5-[5-(6-methoxypyridazin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The IUPAC name of 5-[5-(6-methoxypyridazin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one (CID 140960421) is 5-[5-(6-methoxypyridazin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-[5-(6-methoxypyridazin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The canonical SMILES for 5-[5-(6-methoxypyridazin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one is COc1ccc(-c2ccc3c(cnn3C3=CC(=O)NS3=O)c2)nn1.
What is the InChIKey of 5-[5-(6-methoxypyridazin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The InChIKey is ONEQFZFVZNRCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O3S/c1-23-14-5-3-11(17-18-14)9-2-4-12-10(6-9)8-16-20(12)15-7-13(21)19-24(15)22/h2-8H,1H3,(H,19,21).
What are the key properties of 5-[5-(6-methoxypyridazin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
5-[5-(6-methoxypyridazin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 341.35 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(6-methoxypyridazin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 140960421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).