3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)-6-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

C21H21N7OS — CID 134437762

IUPAC3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)-6-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESc1cnc2c(c1)NCC(c1ccc3c(n1)NC(c1ccc4c(n1)NCCS4)CO3)N2
InChIInChI=1S/C21H21N7OS/c1-2-14-19(22-7-1)27-15(10-24-14)12-3-5-17-20(25-12)28-16(11-29-17)13-4-6-18-21(26-13)23-8-9-30-18/h1-7,15-16,24H,8-11H2,(H,22,27)(H,23,26)(H,25,28)
InChIKeyAXXOIKMHOHQRHV-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.51
Rot. Bonds2

About 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)-6-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)-6-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (PubChem CID 134437762) has the molecular formula C21H21N7OS and a molecular weight of 419.51 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)-6-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)-6-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
PubChem CID134437762
Molecular FormulaC21H21N7OS
Molecular Weight419.51 g/mol
Exact Mass419.15
IUPAC Name3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)-6-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESc1cnc2c(c1)NCC(c1ccc3c(n1)NC(c1ccc4c(n1)NCCS4)CO3)N2
InChIInChI=1S/C21H21N7OS/c1-2-14-19(22-7-1)27-15(10-24-14)12-3-5-17-20(25-12)28-16(11-29-17)13-4-6-18-21(26-13)23-8-9-30-18/h1-7,15-16,24H,8-11H2,(H,22,27)(H,23,26)(H,25,28)
InChIKeyAXXOIKMHOHQRHV-UHFFFAOYSA-N
XLogP3.51
TPSA96.02 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)-6-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-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-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)-6-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)-6-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (CID 134437762) is 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)-6-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)-6-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)-6-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is c1cnc2c(c1)NCC(c1ccc3c(n1)NC(c1ccc4c(n1)NCCS4)CO3)N2.
What is the InChIKey of 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)-6-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is AXXOIKMHOHQRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7OS/c1-2-14-19(22-7-1)27-15(10-24-14)12-3-5-17-20(25-12)28-16(11-29-17)13-4-6-18-21(26-13)23-8-9-30-18/h1-7,15-16,24H,8-11H2,(H,22,27)(H,23,26)(H,25,28).
What are the key properties of 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)-6-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)-6-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 419.51 g/mol, XLogP of 3.51, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)-6-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 134437762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).