2-(ethylamino)-5-(4-fluorophenyl)-6-pyridin-4-ylthieno[2,3-d][1,3]oxazin-4-one

C19H14FN3O2S — CID 139248759

IUPAC2-(ethylamino)-5-(4-fluorophenyl)-6-pyridin-4-ylthieno[2,3-d][1,3]oxazin-4-one
SMILESCCNc1nc2sc(-c3ccncc3)c(-c3ccc(F)cc3)c2c(=O)o1
InChIInChI=1S/C19H14FN3O2S/c1-2-22-19-23-17-15(18(24)25-19)14(11-3-5-13(20)6-4-11)16(26-17)12-7-9-21-10-8-12/h3-10H,2H2,1H3,(H,22,23)
InChIKeyKYWLSYJDWMMOEX-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.55
Rot. Bonds4

About 2-(ethylamino)-5-(4-fluorophenyl)-6-pyridin-4-ylthieno[2,3-d][1,3]oxazin-4-one

2-(ethylamino)-5-(4-fluorophenyl)-6-pyridin-4-ylthieno[2,3-d][1,3]oxazin-4-one (PubChem CID 139248759) has the molecular formula C19H14FN3O2S and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-(ethylamino)-5-(4-fluorophenyl)-6-pyridin-4-ylthieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-(ethylamino)-5-(4-fluorophenyl)-6-pyridin-4-ylthieno[2,3-d][1,3]oxazin-4-one
PubChem CID139248759
Molecular FormulaC19H14FN3O2S
Molecular Weight367.41 g/mol
Exact Mass367.08
IUPAC Name2-(ethylamino)-5-(4-fluorophenyl)-6-pyridin-4-ylthieno[2,3-d][1,3]oxazin-4-one
SMILESCCNc1nc2sc(-c3ccncc3)c(-c3ccc(F)cc3)c2c(=O)o1
InChIInChI=1S/C19H14FN3O2S/c1-2-22-19-23-17-15(18(24)25-19)14(11-3-5-13(20)6-4-11)16(26-17)12-7-9-21-10-8-12/h3-10H,2H2,1H3,(H,22,23)
InChIKeyKYWLSYJDWMMOEX-UHFFFAOYSA-N
XLogP4.55
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-(4-fluorophenyl)-6-pyridin-4-ylthieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-(ethylamino)-5-(4-fluorophenyl)-6-pyridin-4-ylthieno[2,3-d][1,3]oxazin-4-one (CID 139248759) is 2-(ethylamino)-5-(4-fluorophenyl)-6-pyridin-4-ylthieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-(ethylamino)-5-(4-fluorophenyl)-6-pyridin-4-ylthieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-(ethylamino)-5-(4-fluorophenyl)-6-pyridin-4-ylthieno[2,3-d][1,3]oxazin-4-one is CCNc1nc2sc(-c3ccncc3)c(-c3ccc(F)cc3)c2c(=O)o1.
What is the InChIKey of 2-(ethylamino)-5-(4-fluorophenyl)-6-pyridin-4-ylthieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is KYWLSYJDWMMOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2S/c1-2-22-19-23-17-15(18(24)25-19)14(11-3-5-13(20)6-4-11)16(26-17)12-7-9-21-10-8-12/h3-10H,2H2,1H3,(H,22,23).
What are the key properties of 2-(ethylamino)-5-(4-fluorophenyl)-6-pyridin-4-ylthieno[2,3-d][1,3]oxazin-4-one?
2-(ethylamino)-5-(4-fluorophenyl)-6-pyridin-4-ylthieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 367.41 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-(4-fluorophenyl)-6-pyridin-4-ylthieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 139248759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).