5-[5-(4,6-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one

C19H17N5O3S — CID 140960274

IUPAC5-[5-(4,6-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESCc1nc2c(cc1-c1ccc3c(cnn3C3=CC(=O)NS3=O)c1)OCCN2C
InChIInChI=1S/C19H17N5O3S/c1-11-14(8-16-19(21-11)23(2)5-6-27-16)12-3-4-15-13(7-12)10-20-24(15)18-9-17(25)22-28(18)26/h3-4,7-10H,5-6H2,1-2H3,(H,22,25)
InChIKeyGGSFJTULEPAFFK-UHFFFAOYSA-N
MW395.44 g/mol
LogP1.83
Rot. Bonds2

About 5-[5-(4,6-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one

5-[5-(4,6-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one (PubChem CID 140960274) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is 5-[5-(4,6-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[5-(4,6-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
PubChem CID140960274
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC Name5-[5-(4,6-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESCc1nc2c(cc1-c1ccc3c(cnn3C3=CC(=O)NS3=O)c1)OCCN2C
InChIInChI=1S/C19H17N5O3S/c1-11-14(8-16-19(21-11)23(2)5-6-27-16)12-3-4-15-13(7-12)10-20-24(15)18-9-17(25)22-28(18)26/h3-4,7-10H,5-6H2,1-2H3,(H,22,25)
InChIKeyGGSFJTULEPAFFK-UHFFFAOYSA-N
XLogP1.83
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[5-(4,6-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one with MolForge

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4,6-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The IUPAC name of 5-[5-(4,6-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one (CID 140960274) is 5-[5-(4,6-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-[5-(4,6-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The canonical SMILES for 5-[5-(4,6-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one is Cc1nc2c(cc1-c1ccc3c(cnn3C3=CC(=O)NS3=O)c1)OCCN2C.
What is the InChIKey of 5-[5-(4,6-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The InChIKey is GGSFJTULEPAFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-11-14(8-16-19(21-11)23(2)5-6-27-16)12-3-4-15-13(7-12)10-20-24(15)18-9-17(25)22-28(18)26/h3-4,7-10H,5-6H2,1-2H3,(H,22,25).
What are the key properties of 5-[5-(4,6-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
5-[5-(4,6-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 395.44 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4,6-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 140960274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).