5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-4H-pyrrolo[3,4-d][1,3]thiazol-6-one

C20H15FN4OS — CID 146216775

IUPAC5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-4H-pyrrolo[3,4-d][1,3]thiazol-6-one
SMILESCn1cc2cc(-c3ccc(CN4Cc5ncsc5C4=O)c(F)c3)ccc2n1
InChIInChI=1S/C20H15FN4OS/c1-24-8-15-6-12(4-5-17(15)23-24)13-2-3-14(16(21)7-13)9-25-10-18-19(20(25)26)27-11-22-18/h2-8,11H,9-10H2,1H3
InChIKeyXFZVUORXFGXXCR-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.99
Rot. Bonds3

About 5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-4H-pyrrolo[3,4-d][1,3]thiazol-6-one

5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-4H-pyrrolo[3,4-d][1,3]thiazol-6-one (PubChem CID 146216775) has the molecular formula C20H15FN4OS and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-4H-pyrrolo[3,4-d][1,3]thiazol-6-one.

Molecular Properties

Compound Name5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-4H-pyrrolo[3,4-d][1,3]thiazol-6-one
PubChem CID146216775
Molecular FormulaC20H15FN4OS
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-4H-pyrrolo[3,4-d][1,3]thiazol-6-one
SMILESCn1cc2cc(-c3ccc(CN4Cc5ncsc5C4=O)c(F)c3)ccc2n1
InChIInChI=1S/C20H15FN4OS/c1-24-8-15-6-12(4-5-17(15)23-24)13-2-3-14(16(21)7-13)9-25-10-18-19(20(25)26)27-11-22-18/h2-8,11H,9-10H2,1H3
InChIKeyXFZVUORXFGXXCR-UHFFFAOYSA-N
XLogP3.99
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-4H-pyrrolo[3,4-d][1,3]thiazol-6-one?
The IUPAC name of 5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-4H-pyrrolo[3,4-d][1,3]thiazol-6-one (CID 146216775) is 5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-4H-pyrrolo[3,4-d][1,3]thiazol-6-one.
What is the SMILES notation for 5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-4H-pyrrolo[3,4-d][1,3]thiazol-6-one?
The canonical SMILES for 5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-4H-pyrrolo[3,4-d][1,3]thiazol-6-one is Cn1cc2cc(-c3ccc(CN4Cc5ncsc5C4=O)c(F)c3)ccc2n1.
What is the InChIKey of 5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-4H-pyrrolo[3,4-d][1,3]thiazol-6-one?
The InChIKey is XFZVUORXFGXXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4OS/c1-24-8-15-6-12(4-5-17(15)23-24)13-2-3-14(16(21)7-13)9-25-10-18-19(20(25)26)27-11-22-18/h2-8,11H,9-10H2,1H3.
What are the key properties of 5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-4H-pyrrolo[3,4-d][1,3]thiazol-6-one?
5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-4H-pyrrolo[3,4-d][1,3]thiazol-6-one has a molecular weight of 378.43 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-4H-pyrrolo[3,4-d][1,3]thiazol-6-one is sourced from PubChem (CID 146216775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).