7H-pyrimido[4,5-b][1,4]thiazine

C6H5N3S — CID 70491204

IUPAC7H-pyrimido[4,5-b][1,4]thiazine
SMILESC1=Nc2cncnc2SC1
InChIInChI=1S/C6H5N3S/c1-2-10-6-5(8-1)3-7-4-9-6/h1,3-4H,2H2
InChIKeyYOQIAZANPNMQAT-UHFFFAOYSA-N
MW151.19 g/mol
LogP1.28
Rot. Bonds

About 7H-pyrimido[4,5-b][1,4]thiazine

7H-pyrimido[4,5-b][1,4]thiazine (PubChem CID 70491204) has the molecular formula C6H5N3S and a molecular weight of 151.19 g/mol. Its IUPAC name is 7H-pyrimido[4,5-b][1,4]thiazine.

Molecular Properties

Compound Name7H-pyrimido[4,5-b][1,4]thiazine
PubChem CID70491204
Molecular FormulaC6H5N3S
Molecular Weight151.19 g/mol
Exact Mass151.02
IUPAC Name7H-pyrimido[4,5-b][1,4]thiazine
SMILESC1=Nc2cncnc2SC1
InChIInChI=1S/C6H5N3S/c1-2-10-6-5(8-1)3-7-4-9-6/h1,3-4H,2H2
InChIKeyYOQIAZANPNMQAT-UHFFFAOYSA-N
XLogP1.28
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Ethylsulfanyl)pyrimidine
CID 45080484
7H-Pyrimido(4,5-b)(1,4)thiazine, 4,6-diamino-
CID 3043314
2-(Propylsulfanyl)pyrimidin-5-amine
CID 61147250
Thiazolopyrimidinone
CID 66780398
4-Methylsulfanylpyrimidin-5-amine
CID 320002
Pyrimido[4,5-b]-1,4-thiazin-6-one
CID 12455738
Thiazolidinopyrimidine
CID 69883139
5H-pyrimido[4,5-b][1,4]thiazine
CID 70491199
7H-Pyrimido[4,5-b][1,4]thiazin-6-amine
CID 85887989
Aminothiazolopyrimidinone
CID 129813306
6-Cyanomethylthiopyrimidine
CID 63696040
9-Oxo-6,7,8,9-tetrahydropyrimido(4,5-b)(1,4)benzothiazine
CID 129778649

Frequently Asked Questions

What is the IUPAC name of 7H-pyrimido[4,5-b][1,4]thiazine?
The IUPAC name of 7H-pyrimido[4,5-b][1,4]thiazine (CID 70491204) is 7H-pyrimido[4,5-b][1,4]thiazine.
What is the SMILES notation for 7H-pyrimido[4,5-b][1,4]thiazine?
The canonical SMILES for 7H-pyrimido[4,5-b][1,4]thiazine is C1=Nc2cncnc2SC1.
What is the InChIKey of 7H-pyrimido[4,5-b][1,4]thiazine?
The InChIKey is YOQIAZANPNMQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S/c1-2-10-6-5(8-1)3-7-4-9-6/h1,3-4H,2H2.
What are the key properties of 7H-pyrimido[4,5-b][1,4]thiazine?
7H-pyrimido[4,5-b][1,4]thiazine has a molecular weight of 151.19 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrimido[4,5-b][1,4]thiazine is sourced from PubChem (CID 70491204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).