6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one

C17H19N5O3S — CID 58405729

IUPAC6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one
SMILESCCC12COCCN1c1nc(CC(=O)c3nccs3)ncc1N(C)C2=O
InChIInChI=1S/C17H19N5O3S/c1-3-17-10-25-6-5-22(17)14-11(21(2)16(17)24)9-19-13(20-14)8-12(23)15-18-4-7-26-15/h4,7,9H,3,5-6,8,10H2,1-2H3
InChIKeyNFPZOTZXGNANAP-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.32
Rot. Bonds4

About 6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one

6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one (PubChem CID 58405729) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one.

Molecular Properties

Compound Name6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one
PubChem CID58405729
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one
SMILESCCC12COCCN1c1nc(CC(=O)c3nccs3)ncc1N(C)C2=O
InChIInChI=1S/C17H19N5O3S/c1-3-17-10-25-6-5-22(17)14-11(21(2)16(17)24)9-19-13(20-14)8-12(23)15-18-4-7-26-15/h4,7,9H,3,5-6,8,10H2,1-2H3
InChIKeyNFPZOTZXGNANAP-UHFFFAOYSA-N
XLogP1.32
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one?
The IUPAC name of 6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one (CID 58405729) is 6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one.
What is the SMILES notation for 6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one?
The canonical SMILES for 6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one is CCC12COCCN1c1nc(CC(=O)c3nccs3)ncc1N(C)C2=O.
What is the InChIKey of 6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one?
The InChIKey is NFPZOTZXGNANAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-3-17-10-25-6-5-22(17)14-11(21(2)16(17)24)9-19-13(20-14)8-12(23)15-18-4-7-26-15/h4,7,9H,3,5-6,8,10H2,1-2H3.
What are the key properties of 6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one?
6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one has a molecular weight of 373.44 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one is sourced from PubChem (CID 58405729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).