2-(4-methoxyanilino)-6-pentylthieno[2,3-d][1,3]oxazin-4-one

C18H20N2O3S — CID 69026444

IUPAC2-(4-methoxyanilino)-6-pentylthieno[2,3-d][1,3]oxazin-4-one
SMILESCCCCCc1cc2c(=O)oc(Nc3ccc(OC)cc3)nc2s1
InChIInChI=1S/C18H20N2O3S/c1-3-4-5-6-14-11-15-16(24-14)20-18(23-17(15)21)19-12-7-9-13(22-2)10-8-12/h7-11H,3-6H2,1-2H3,(H,19,20)
InChIKeyHIXVJDGSCAKXLY-UHFFFAOYSA-N
MW344.44 g/mol
LogP4.73
Rot. Bonds7

About 2-(4-methoxyanilino)-6-pentylthieno[2,3-d][1,3]oxazin-4-one

2-(4-methoxyanilino)-6-pentylthieno[2,3-d][1,3]oxazin-4-one (PubChem CID 69026444) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-6-pentylthieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-(4-methoxyanilino)-6-pentylthieno[2,3-d][1,3]oxazin-4-one
PubChem CID69026444
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name2-(4-methoxyanilino)-6-pentylthieno[2,3-d][1,3]oxazin-4-one
SMILESCCCCCc1cc2c(=O)oc(Nc3ccc(OC)cc3)nc2s1
InChIInChI=1S/C18H20N2O3S/c1-3-4-5-6-14-11-15-16(24-14)20-18(23-17(15)21)19-12-7-9-13(22-2)10-8-12/h7-11H,3-6H2,1-2H3,(H,19,20)
InChIKeyHIXVJDGSCAKXLY-UHFFFAOYSA-N
XLogP4.73
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-6-pentylthieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-(4-methoxyanilino)-6-pentylthieno[2,3-d][1,3]oxazin-4-one (CID 69026444) is 2-(4-methoxyanilino)-6-pentylthieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-(4-methoxyanilino)-6-pentylthieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-(4-methoxyanilino)-6-pentylthieno[2,3-d][1,3]oxazin-4-one is CCCCCc1cc2c(=O)oc(Nc3ccc(OC)cc3)nc2s1.
What is the InChIKey of 2-(4-methoxyanilino)-6-pentylthieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is HIXVJDGSCAKXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-3-4-5-6-14-11-15-16(24-14)20-18(23-17(15)21)19-12-7-9-13(22-2)10-8-12/h7-11H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-methoxyanilino)-6-pentylthieno[2,3-d][1,3]oxazin-4-one?
2-(4-methoxyanilino)-6-pentylthieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 344.44 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-6-pentylthieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 69026444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).