7-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C14H14N2O2S — CID 135439007

IUPAC7-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1c(Cc2ccccc2)c(O)nc2n1CCCS2
InChIInChI=1S/C14H14N2O2S/c17-12-11(9-10-5-2-1-3-6-10)13(18)16-7-4-8-19-14(16)15-12/h1-3,5-6,17H,4,7-9H2
InChIKeyQKKWYBMHBXFAKU-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.04
Rot. Bonds2

About 7-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

7-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 135439007) has the molecular formula C14H14N2O2S and a molecular weight of 274.34 g/mol. Its IUPAC name is 7-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name7-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID135439007
Molecular FormulaC14H14N2O2S
Molecular Weight274.34 g/mol
Exact Mass274.08
IUPAC Name7-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1c(Cc2ccccc2)c(O)nc2n1CCCS2
InChIInChI=1S/C14H14N2O2S/c17-12-11(9-10-5-2-1-3-6-10)13(18)16-7-4-8-19-14(16)15-12/h1-3,5-6,17H,4,7-9H2
InChIKeyQKKWYBMHBXFAKU-UHFFFAOYSA-N
XLogP2.04
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 7-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 135439007) is 7-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 7-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 7-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is O=c1c(Cc2ccccc2)c(O)nc2n1CCCS2.
What is the InChIKey of 7-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is QKKWYBMHBXFAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c17-12-11(9-10-5-2-1-3-6-10)13(18)16-7-4-8-19-14(16)15-12/h1-3,5-6,17H,4,7-9H2.
What are the key properties of 7-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
7-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 274.34 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 135439007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).