3-(2,6-difluorophenyl)-7-(5-ethyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

C23H18F2N4OS — CID 71547403

IUPAC3-(2,6-difluorophenyl)-7-(5-ethyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCCc1sc(-c2cccnc2)nc1-c1cnc2c(c1)OCC(c1c(F)cccc1F)N2
InChIInChI=1S/C23H18F2N4OS/c1-2-19-21(29-23(31-19)13-5-4-8-26-10-13)14-9-18-22(27-11-14)28-17(12-30-18)20-15(24)6-3-7-16(20)25/h3-11,17H,2,12H2,1H3,(H,27,28)
InChIKeyOFHKAFWNSMUBDO-UHFFFAOYSA-N
MW436.49 g/mol
LogP5.65
Rot. Bonds4

About 3-(2,6-difluorophenyl)-7-(5-ethyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

3-(2,6-difluorophenyl)-7-(5-ethyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (PubChem CID 71547403) has the molecular formula C23H18F2N4OS and a molecular weight of 436.49 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-7-(5-ethyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-7-(5-ethyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
PubChem CID71547403
Molecular FormulaC23H18F2N4OS
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC Name3-(2,6-difluorophenyl)-7-(5-ethyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCCc1sc(-c2cccnc2)nc1-c1cnc2c(c1)OCC(c1c(F)cccc1F)N2
InChIInChI=1S/C23H18F2N4OS/c1-2-19-21(29-23(31-19)13-5-4-8-26-10-13)14-9-18-22(27-11-14)28-17(12-30-18)20-15(24)6-3-7-16(20)25/h3-11,17H,2,12H2,1H3,(H,27,28)
InChIKeyOFHKAFWNSMUBDO-UHFFFAOYSA-N
XLogP5.65
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.49
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2,6-difluorophenyl)-7-(5-ethyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-7-(5-ethyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of 3-(2,6-difluorophenyl)-7-(5-ethyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (CID 71547403) is 3-(2,6-difluorophenyl)-7-(5-ethyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 3-(2,6-difluorophenyl)-7-(5-ethyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 3-(2,6-difluorophenyl)-7-(5-ethyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is CCc1sc(-c2cccnc2)nc1-c1cnc2c(c1)OCC(c1c(F)cccc1F)N2.
What is the InChIKey of 3-(2,6-difluorophenyl)-7-(5-ethyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is OFHKAFWNSMUBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4OS/c1-2-19-21(29-23(31-19)13-5-4-8-26-10-13)14-9-18-22(27-11-14)28-17(12-30-18)20-15(24)6-3-7-16(20)25/h3-11,17H,2,12H2,1H3,(H,27,28).
What are the key properties of 3-(2,6-difluorophenyl)-7-(5-ethyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
3-(2,6-difluorophenyl)-7-(5-ethyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 436.49 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-7-(5-ethyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 71547403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).