2-(3H-indol-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one

C18H13N5OS2 — CID 160594545

IUPAC2-(3H-indol-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one
SMILESO=c1cc(CSc2nc3cccnc3s2)[nH]n1C1=Nc2ccccc2C1
InChIInChI=1S/C18H13N5OS2/c24-16-9-12(10-25-18-21-14-6-3-7-19-17(14)26-18)22-23(16)15-8-11-4-1-2-5-13(11)20-15/h1-7,9,22H,8,10H2
InChIKeyRDLOCDWQKAILKG-UHFFFAOYSA-N
MW379.47 g/mol
LogP3.61
Rot. Bonds3

About 2-(3H-indol-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one

2-(3H-indol-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one (PubChem CID 160594545) has the molecular formula C18H13N5OS2 and a molecular weight of 379.47 g/mol. Its IUPAC name is 2-(3H-indol-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(3H-indol-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one
PubChem CID160594545
Molecular FormulaC18H13N5OS2
Molecular Weight379.47 g/mol
Exact Mass379.06
IUPAC Name2-(3H-indol-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one
SMILESO=c1cc(CSc2nc3cccnc3s2)[nH]n1C1=Nc2ccccc2C1
InChIInChI=1S/C18H13N5OS2/c24-16-9-12(10-25-18-21-14-6-3-7-19-17(14)26-18)22-23(16)15-8-11-4-1-2-5-13(11)20-15/h1-7,9,22H,8,10H2
InChIKeyRDLOCDWQKAILKG-UHFFFAOYSA-N
XLogP3.61
TPSA75.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-indol-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one?
The IUPAC name of 2-(3H-indol-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one (CID 160594545) is 2-(3H-indol-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(3H-indol-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(3H-indol-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one is O=c1cc(CSc2nc3cccnc3s2)[nH]n1C1=Nc2ccccc2C1.
What is the InChIKey of 2-(3H-indol-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one?
The InChIKey is RDLOCDWQKAILKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5OS2/c24-16-9-12(10-25-18-21-14-6-3-7-19-17(14)26-18)22-23(16)15-8-11-4-1-2-5-13(11)20-15/h1-7,9,22H,8,10H2.
What are the key properties of 2-(3H-indol-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one?
2-(3H-indol-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one has a molecular weight of 379.47 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-indol-2-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 160594545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).