5H-pyrimido[4,5-b][1,4]thiazine

C6H5N3S — CID 70491199

IUPAC5H-pyrimido[4,5-b][1,4]thiazine
SMILESC1=CSc2ncncc2N1
InChIInChI=1S/C6H5N3S/c1-2-10-6-5(8-1)3-7-4-9-6/h1-4,8H
InChIKeyQZTYGTGACZOWQF-UHFFFAOYSA-N
MW151.19 g/mol
LogP1.47
Rot. Bonds

About 5H-pyrimido[4,5-b][1,4]thiazine

5H-pyrimido[4,5-b][1,4]thiazine (PubChem CID 70491199) has the molecular formula C6H5N3S and a molecular weight of 151.19 g/mol. Its IUPAC name is 5H-pyrimido[4,5-b][1,4]thiazine.

Molecular Properties

Compound Name5H-pyrimido[4,5-b][1,4]thiazine
PubChem CID70491199
Molecular FormulaC6H5N3S
Molecular Weight151.19 g/mol
Exact Mass151.02
IUPAC Name5H-pyrimido[4,5-b][1,4]thiazine
SMILESC1=CSc2ncncc2N1
InChIInChI=1S/C6H5N3S/c1-2-10-6-5(8-1)3-7-4-9-6/h1-4,8H
InChIKeyQZTYGTGACZOWQF-UHFFFAOYSA-N
XLogP1.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5H-pyrimido[4,5-b][1,4]thiazine?
The IUPAC name of 5H-pyrimido[4,5-b][1,4]thiazine (CID 70491199) is 5H-pyrimido[4,5-b][1,4]thiazine.
What is the SMILES notation for 5H-pyrimido[4,5-b][1,4]thiazine?
The canonical SMILES for 5H-pyrimido[4,5-b][1,4]thiazine is C1=CSc2ncncc2N1.
What is the InChIKey of 5H-pyrimido[4,5-b][1,4]thiazine?
The InChIKey is QZTYGTGACZOWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S/c1-2-10-6-5(8-1)3-7-4-9-6/h1-4,8H.
What are the key properties of 5H-pyrimido[4,5-b][1,4]thiazine?
5H-pyrimido[4,5-b][1,4]thiazine has a molecular weight of 151.19 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyrimido[4,5-b][1,4]thiazine is sourced from PubChem (CID 70491199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).