5-[4-(1H-inden-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one

C15H11N3O2S — CID 140960341

IUPAC5-[4-(1H-inden-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESO=C1C=C(n2cc(C3=Cc4ccccc4C3)cn2)S(=O)N1
InChIInChI=1S/C15H11N3O2S/c19-14-7-15(21(20)17-14)18-9-13(8-16-18)12-5-10-3-1-2-4-11(10)6-12/h1-5,7-9H,6H2,(H,17,19)
InChIKeyGEXQKRSLFWQYTH-UHFFFAOYSA-N
MW297.34 g/mol
LogP1.57
Rot. Bonds2

About 5-[4-(1H-inden-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one

5-[4-(1H-inden-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one (PubChem CID 140960341) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 5-[4-(1H-inden-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[4-(1H-inden-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
PubChem CID140960341
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name5-[4-(1H-inden-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESO=C1C=C(n2cc(C3=Cc4ccccc4C3)cn2)S(=O)N1
InChIInChI=1S/C15H11N3O2S/c19-14-7-15(21(20)17-14)18-9-13(8-16-18)12-5-10-3-1-2-4-11(10)6-12/h1-5,7-9H,6H2,(H,17,19)
InChIKeyGEXQKRSLFWQYTH-UHFFFAOYSA-N
XLogP1.57
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1H-inden-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The IUPAC name of 5-[4-(1H-inden-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one (CID 140960341) is 5-[4-(1H-inden-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-[4-(1H-inden-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The canonical SMILES for 5-[4-(1H-inden-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one is O=C1C=C(n2cc(C3=Cc4ccccc4C3)cn2)S(=O)N1.
What is the InChIKey of 5-[4-(1H-inden-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The InChIKey is GEXQKRSLFWQYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c19-14-7-15(21(20)17-14)18-9-13(8-16-18)12-5-10-3-1-2-4-11(10)6-12/h1-5,7-9H,6H2,(H,17,19).
What are the key properties of 5-[4-(1H-inden-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one?
5-[4-(1H-inden-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 297.34 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1H-inden-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 140960341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).