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

C14H13FN2O2S — CID 135680904

IUPAC7-[(4-fluorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1c(Cc2ccc(F)cc2)c(O)nc2n1CCCS2
InChIInChI=1S/C14H13FN2O2S/c15-10-4-2-9(3-5-10)8-11-12(18)16-14-17(13(11)19)6-1-7-20-14/h2-5,18H,1,6-8H2
InChIKeyYDIAWAHSZGLSPM-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.17
Rot. Bonds2

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

7-[(4-fluorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 135680904) has the molecular formula C14H13FN2O2S and a molecular weight of 292.33 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID135680904
Molecular FormulaC14H13FN2O2S
Molecular Weight292.33 g/mol
Exact Mass292.07
IUPAC Name7-[(4-fluorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1c(Cc2ccc(F)cc2)c(O)nc2n1CCCS2
InChIInChI=1S/C14H13FN2O2S/c15-10-4-2-9(3-5-10)8-11-12(18)16-14-17(13(11)19)6-1-7-20-14/h2-5,18H,1,6-8H2
InChIKeyYDIAWAHSZGLSPM-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 135680904) is 7-[(4-fluorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is O=c1c(Cc2ccc(F)cc2)c(O)nc2n1CCCS2.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is YDIAWAHSZGLSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c15-10-4-2-9(3-5-10)8-11-12(18)16-14-17(13(11)19)6-1-7-20-14/h2-5,18H,1,6-8H2.
What are the key properties of 7-[(4-fluorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
7-[(4-fluorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 292.33 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 135680904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).