2H-pyrimido[2,1-b][1,3]thiazin-6-one

C7H6N2OS — CID 18919072

IUPAC2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1ccnc2n1C=CCS2
InChIInChI=1S/C7H6N2OS/c10-6-2-3-8-7-9(6)4-1-5-11-7/h1-4H,5H2
InChIKeyHGSJSGJZOMBIAB-UHFFFAOYSA-N
MW166.20 g/mol
LogP0.82
Rot. Bonds

About 2H-pyrimido[2,1-b][1,3]thiazin-6-one

2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 18919072) has the molecular formula C7H6N2OS and a molecular weight of 166.20 g/mol. Its IUPAC name is 2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID18919072
Molecular FormulaC7H6N2OS
Molecular Weight166.20 g/mol
Exact Mass166.02
IUPAC Name2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1ccnc2n1C=CCS2
InChIInChI=1S/C7H6N2OS/c10-6-2-3-8-7-9(6)4-1-5-11-7/h1-4H,5H2
InChIKeyHGSJSGJZOMBIAB-UHFFFAOYSA-N
XLogP0.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 18919072) is 2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 2H-pyrimido[2,1-b][1,3]thiazin-6-one is O=c1ccnc2n1C=CCS2.
What is the InChIKey of 2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is HGSJSGJZOMBIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c10-6-2-3-8-7-9(6)4-1-5-11-7/h1-4H,5H2.
What are the key properties of 2H-pyrimido[2,1-b][1,3]thiazin-6-one?
2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 166.20 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 18919072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).