5-[5-(2-methylindazol-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one

C18H13N5O2S — CID 140960505

IUPAC5-[5-(2-methylindazol-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESCn1cc2c(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)cccc2n1
InChIInChI=1S/C18H13N5O2S/c1-22-10-14-13(3-2-4-15(14)20-22)11-5-6-16-12(7-11)9-19-23(16)18-8-17(24)21-26(18)25/h2-10H,1H3,(H,21,24)
InChIKeyJARLROSPIQDBJN-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.18
Rot. Bonds2

About 5-[5-(2-methylindazol-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one

5-[5-(2-methylindazol-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one (PubChem CID 140960505) has the molecular formula C18H13N5O2S and a molecular weight of 363.40 g/mol. Its IUPAC name is 5-[5-(2-methylindazol-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[5-(2-methylindazol-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
PubChem CID140960505
Molecular FormulaC18H13N5O2S
Molecular Weight363.40 g/mol
Exact Mass363.08
IUPAC Name5-[5-(2-methylindazol-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESCn1cc2c(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)cccc2n1
InChIInChI=1S/C18H13N5O2S/c1-22-10-14-13(3-2-4-15(14)20-22)11-5-6-16-12(7-11)9-19-23(16)18-8-17(24)21-26(18)25/h2-10H,1H3,(H,21,24)
InChIKeyJARLROSPIQDBJN-UHFFFAOYSA-N
XLogP2.18
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-methylindazol-1-yl)-1-oxo-1,2-thiazol-3-one
CID 140960375
1-oxo-5-[5-(1H-pyrazol-4-yl)indazol-1-yl]-1,2-thiazol-3-one
CID 140960313
1-oxo-5-[5-[3-(2-oxopropyl)phenyl]indazol-1-yl]-1,2-thiazol-3-one
CID 159323023
5-[5-(6-methoxypyridazin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960421
5-[5-[3-(morpholin-4-ylmethyl)phenyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960539
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-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960429
5-(5-methyl-3-phenylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one
CID 140960441
CID 175616432
CID 175616432
1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]quinoxalin-2-one
CID 86298474
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-(2-methylindazol-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The IUPAC name of 5-[5-(2-methylindazol-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one (CID 140960505) is 5-[5-(2-methylindazol-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-[5-(2-methylindazol-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The canonical SMILES for 5-[5-(2-methylindazol-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one is Cn1cc2c(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)cccc2n1.
What is the InChIKey of 5-[5-(2-methylindazol-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The InChIKey is JARLROSPIQDBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2S/c1-22-10-14-13(3-2-4-15(14)20-22)11-5-6-16-12(7-11)9-19-23(16)18-8-17(24)21-26(18)25/h2-10H,1H3,(H,21,24).
What are the key properties of 5-[5-(2-methylindazol-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
5-[5-(2-methylindazol-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 363.40 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-methylindazol-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 140960505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).