8-hydroxy-7-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C16H16N2O2S — CID 135449556

IUPAC8-hydroxy-7-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1c(C/C=C/c2ccccc2)c(O)nc2n1CCCS2
InChIInChI=1S/C16H16N2O2S/c19-14-13(9-4-8-12-6-2-1-3-7-12)15(20)18-10-5-11-21-16(18)17-14/h1-4,6-8,19H,5,9-11H2/b8-4+
InChIKeyZLUPNWDYCDIBDP-XBXARRHUSA-N
MW300.38 g/mol
LogP2.70
Rot. Bonds3

About 8-hydroxy-7-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

8-hydroxy-7-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 135449556) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 8-hydroxy-7-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name8-hydroxy-7-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID135449556
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name8-hydroxy-7-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1c(C/C=C/c2ccccc2)c(O)nc2n1CCCS2
InChIInChI=1S/C16H16N2O2S/c19-14-13(9-4-8-12-6-2-1-3-7-12)15(20)18-10-5-11-21-16(18)17-14/h1-4,6-8,19H,5,9-11H2/b8-4+
InChIKeyZLUPNWDYCDIBDP-XBXARRHUSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-7-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 8-hydroxy-7-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 135449556) is 8-hydroxy-7-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 8-hydroxy-7-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 8-hydroxy-7-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is O=c1c(C/C=C/c2ccccc2)c(O)nc2n1CCCS2.
What is the InChIKey of 8-hydroxy-7-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is ZLUPNWDYCDIBDP-XBXARRHUSA-N. The full InChI is InChI=1S/C16H16N2O2S/c19-14-13(9-4-8-12-6-2-1-3-7-12)15(20)18-10-5-11-21-16(18)17-14/h1-4,6-8,19H,5,9-11H2/b8-4+.
What are the key properties of 8-hydroxy-7-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
8-hydroxy-7-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 300.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-7-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 135449556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).