(2S)-2-(4-fluorophenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazin-4-one

C13H13FN2OS — CID 51505770

IUPAC(2S)-2-(4-fluorophenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazin-4-one
SMILESO=C1C[C@@H](c2ccc(F)cc2)SC2=NCCCN12
InChIInChI=1S/C13H13FN2OS/c14-10-4-2-9(3-5-10)11-8-12(17)16-7-1-6-15-13(16)18-11/h2-5,11H,1,6-8H2/t11-/m0/s1
InChIKeyYKDTWBGDFXWBMC-NSHDSACASA-N
MW264.32 g/mol
LogP2.59
Rot. Bonds1

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

(2S)-2-(4-fluorophenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazin-4-one (PubChem CID 51505770) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazin-4-one.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazin-4-one
PubChem CID51505770
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name(2S)-2-(4-fluorophenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazin-4-one
SMILESO=C1C[C@@H](c2ccc(F)cc2)SC2=NCCCN12
InChIInChI=1S/C13H13FN2OS/c14-10-4-2-9(3-5-10)11-8-12(17)16-7-1-6-15-13(16)18-11/h2-5,11H,1,6-8H2/t11-/m0/s1
InChIKeyYKDTWBGDFXWBMC-NSHDSACASA-N
XLogP2.59
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazin-4-one?
The IUPAC name of (2S)-2-(4-fluorophenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazin-4-one (CID 51505770) is (2S)-2-(4-fluorophenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazin-4-one.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazin-4-one?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazin-4-one is O=C1C[C@@H](c2ccc(F)cc2)SC2=NCCCN12.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazin-4-one?
The InChIKey is YKDTWBGDFXWBMC-NSHDSACASA-N. The full InChI is InChI=1S/C13H13FN2OS/c14-10-4-2-9(3-5-10)11-8-12(17)16-7-1-6-15-13(16)18-11/h2-5,11H,1,6-8H2/t11-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazin-4-one?
(2S)-2-(4-fluorophenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazin-4-one has a molecular weight of 264.32 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazin-4-one is sourced from PubChem (CID 51505770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).