3-fluoro-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile

C8H6FN3OS — CID 175957590

IUPAC3-fluoro-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile
SMILESN#Cc1cnc2n(c1=O)CC(F)CS2
InChIInChI=1S/C8H6FN3OS/c9-6-3-12-7(13)5(1-10)2-11-8(12)14-4-6/h2,6H,3-4H2
InChIKeyFCGFZPRDOPAXHX-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.56
Rot. Bonds

About 3-fluoro-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile

3-fluoro-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile (PubChem CID 175957590) has the molecular formula C8H6FN3OS and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-fluoro-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile.

Molecular Properties

Compound Name3-fluoro-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile
PubChem CID175957590
Molecular FormulaC8H6FN3OS
Molecular Weight211.22 g/mol
Exact Mass211.02
IUPAC Name3-fluoro-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile
SMILESN#Cc1cnc2n(c1=O)CC(F)CS2
InChIInChI=1S/C8H6FN3OS/c9-6-3-12-7(13)5(1-10)2-11-8(12)14-4-6/h2,6H,3-4H2
InChIKeyFCGFZPRDOPAXHX-UHFFFAOYSA-N
XLogP0.56
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile?
The IUPAC name of 3-fluoro-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile (CID 175957590) is 3-fluoro-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile.
What is the SMILES notation for 3-fluoro-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile?
The canonical SMILES for 3-fluoro-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile is N#Cc1cnc2n(c1=O)CC(F)CS2.
What is the InChIKey of 3-fluoro-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile?
The InChIKey is FCGFZPRDOPAXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3OS/c9-6-3-12-7(13)5(1-10)2-11-8(12)14-4-6/h2,6H,3-4H2.
What are the key properties of 3-fluoro-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile?
3-fluoro-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile has a molecular weight of 211.22 g/mol, XLogP of 0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile is sourced from PubChem (CID 175957590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).