3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C7H8N2OS — CID 15092584

IUPAC3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1ccnc2n1CCCS2
InChIInChI=1S/C7H8N2OS/c10-6-2-3-8-7-9(6)4-1-5-11-7/h2-3H,1,4-5H2
InChIKeyYSKAREKXGOOLQX-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.74
Rot. Bonds

About 3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 15092584) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID15092584
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1ccnc2n1CCCS2
InChIInChI=1S/C7H8N2OS/c10-6-2-3-8-7-9(6)4-1-5-11-7/h2-3H,1,4-5H2
InChIKeyYSKAREKXGOOLQX-UHFFFAOYSA-N
XLogP0.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 15092584) is 3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is O=c1ccnc2n1CCCS2.
What is the InChIKey of 3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is YSKAREKXGOOLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c10-6-2-3-8-7-9(6)4-1-5-11-7/h2-3H,1,4-5H2.
What are the key properties of 3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 168.22 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 15092584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).