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

C22H16F2N4OS — CID 71547404

IUPAC3-(2,6-difluorophenyl)-7-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCc1sc(-c2ccncc2)nc1-c1cnc2c(c1)OCC(c1c(F)cccc1F)N2
InChIInChI=1S/C22H16F2N4OS/c1-12-20(28-22(30-12)13-5-7-25-8-6-13)14-9-18-21(26-10-14)27-17(11-29-18)19-15(23)3-2-4-16(19)24/h2-10,17H,11H2,1H3,(H,26,27)
InChIKeyJBIVSNUFWRBXFY-UHFFFAOYSA-N
MW422.46 g/mol
LogP5.40
Rot. Bonds3

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

3-(2,6-difluorophenyl)-7-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (PubChem CID 71547404) has the molecular formula C22H16F2N4OS and a molecular weight of 422.46 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-7-(5-methyl-2-pyridin-4-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-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
PubChem CID71547404
Molecular FormulaC22H16F2N4OS
Molecular Weight422.46 g/mol
Exact Mass422.10
IUPAC Name3-(2,6-difluorophenyl)-7-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCc1sc(-c2ccncc2)nc1-c1cnc2c(c1)OCC(c1c(F)cccc1F)N2
InChIInChI=1S/C22H16F2N4OS/c1-12-20(28-22(30-12)13-5-7-25-8-6-13)14-9-18-21(26-10-14)27-17(11-29-18)19-15(23)3-2-4-16(19)24/h2-10,17H,11H2,1H3,(H,26,27)
InChIKeyJBIVSNUFWRBXFY-UHFFFAOYSA-N
XLogP5.40
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.46
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2,6-difluorophenyl)-7-(5-methyl-2-pyridin-4-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-methyl-2-pyridin-4-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-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (CID 71547404) is 3-(2,6-difluorophenyl)-7-(5-methyl-2-pyridin-4-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-methyl-2-pyridin-4-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-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is Cc1sc(-c2ccncc2)nc1-c1cnc2c(c1)OCC(c1c(F)cccc1F)N2.
What is the InChIKey of 3-(2,6-difluorophenyl)-7-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is JBIVSNUFWRBXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4OS/c1-12-20(28-22(30-12)13-5-7-25-8-6-13)14-9-18-21(26-10-14)27-17(11-29-18)19-15(23)3-2-4-16(19)24/h2-10,17H,11H2,1H3,(H,26,27).
What are the key properties of 3-(2,6-difluorophenyl)-7-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
3-(2,6-difluorophenyl)-7-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 422.46 g/mol, XLogP of 5.40, 3 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-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 71547404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).