2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-7-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 134185374

IUPAC2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-7-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)NCC(c1cnc4c(c1)SCCN4)O3)N2
InChIInChI=1S/C21H21N7OS/c1-2-14-19(22-5-1)28-15(10-24-14)13-3-4-16-20(27-13)26-11-17(29-16)12-8-18-21(25-9-12)23-6-7-30-18/h1-5,8-9,15,17,24H,6-7,10-11H2,(H,22,28)(H,23,25)(H,26,27)
InChIKeyGMECDVVQWYSPGG-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.51
Rot. Bonds2

About 2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-7-yl)-6-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-7-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 134185374) has the molecular formula C21H21N7OS and a molecular weight of 419.51 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-7-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 Name2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-7-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 CID134185374
Molecular FormulaC21H21N7OS
Molecular Weight419.51 g/mol
Exact Mass419.15
IUPAC Name2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-7-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)NCC(c1cnc4c(c1)SCCN4)O3)N2
InChIInChI=1S/C21H21N7OS/c1-2-14-19(22-5-1)28-15(10-24-14)13-3-4-16-20(27-13)26-11-17(29-16)12-8-18-21(25-9-12)23-6-7-30-18/h1-5,8-9,15,17,24H,6-7,10-11H2,(H,22,28)(H,23,25)(H,26,27)
InChIKeyGMECDVVQWYSPGG-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 2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-7-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 2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-7-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 2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-7-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 134185374) is 2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-7-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 2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-7-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 2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-7-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)NCC(c1cnc4c(c1)SCCN4)O3)N2.
What is the InChIKey of 2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-7-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 GMECDVVQWYSPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7OS/c1-2-14-19(22-5-1)28-15(10-24-14)13-3-4-16-20(27-13)26-11-17(29-16)12-8-18-21(25-9-12)23-6-7-30-18/h1-5,8-9,15,17,24H,6-7,10-11H2,(H,22,28)(H,23,25)(H,26,27).
What are the key properties of 2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-7-yl)-6-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-7-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 2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-7-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 134185374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).