5-(5-methylindazol-1-yl)-1-oxo-1,2-thiazol-3-one

C11H9N3O2S — CID 140960375

IUPAC5-(5-methylindazol-1-yl)-1-oxo-1,2-thiazol-3-one
SMILESCc1ccc2c(cnn2C2=CC(=O)NS2=O)c1
InChIInChI=1S/C11H9N3O2S/c1-7-2-3-9-8(4-7)6-12-14(9)11-5-10(15)13-17(11)16/h2-6H,1H3,(H,13,15)
InChIKeyGFQGKAXEKFNGST-UHFFFAOYSA-N
MW247.28 g/mol
LogP0.94
Rot. Bonds1

About 5-(5-methylindazol-1-yl)-1-oxo-1,2-thiazol-3-one

5-(5-methylindazol-1-yl)-1-oxo-1,2-thiazol-3-one (PubChem CID 140960375) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 5-(5-methylindazol-1-yl)-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-(5-methylindazol-1-yl)-1-oxo-1,2-thiazol-3-one
PubChem CID140960375
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name5-(5-methylindazol-1-yl)-1-oxo-1,2-thiazol-3-one
SMILESCc1ccc2c(cnn2C2=CC(=O)NS2=O)c1
InChIInChI=1S/C11H9N3O2S/c1-7-2-3-9-8(4-7)6-12-14(9)11-5-10(15)13-17(11)16/h2-6H,1H3,(H,13,15)
InChIKeyGFQGKAXEKFNGST-UHFFFAOYSA-N
XLogP0.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(6-methoxypyridazin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960421
1-oxo-5-[5-[3-(2-oxopropyl)phenyl]indazol-1-yl]-1,2-thiazol-3-one
CID 159323023
5-[5-(2-methylindazol-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960505
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-(5-morpholin-4-ylpyrazin-2-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960413
5-[5-[3-(morpholin-4-ylmethyl)phenyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960539
5-(5-methyl-3-phenylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one
CID 140960441
1,5-dimethylindazole;ethane
CID 90788862
1-bromo-5-methylindazole
CID 150964557
5-[5-[(3S,4E,6E)-3-methyl-7-(2-oxa-7-azaspiro[3.4]octan-7-yl)octa-1,4,6-trien-4-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 163813996
5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazolo[3,4-c]pyridin-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960328

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylindazol-1-yl)-1-oxo-1,2-thiazol-3-one?
The IUPAC name of 5-(5-methylindazol-1-yl)-1-oxo-1,2-thiazol-3-one (CID 140960375) is 5-(5-methylindazol-1-yl)-1-oxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-(5-methylindazol-1-yl)-1-oxo-1,2-thiazol-3-one?
The canonical SMILES for 5-(5-methylindazol-1-yl)-1-oxo-1,2-thiazol-3-one is Cc1ccc2c(cnn2C2=CC(=O)NS2=O)c1.
What is the InChIKey of 5-(5-methylindazol-1-yl)-1-oxo-1,2-thiazol-3-one?
The InChIKey is GFQGKAXEKFNGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c1-7-2-3-9-8(4-7)6-12-14(9)11-5-10(15)13-17(11)16/h2-6H,1H3,(H,13,15).
What are the key properties of 5-(5-methylindazol-1-yl)-1-oxo-1,2-thiazol-3-one?
5-(5-methylindazol-1-yl)-1-oxo-1,2-thiazol-3-one has a molecular weight of 247.28 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylindazol-1-yl)-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 140960375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).