4-(3-fluorophenyl)-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-1-one

C12H12FN3OS — CID 66966388

IUPAC4-(3-fluorophenyl)-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-1-one
SMILESO=C1NN=C(c2cccc(F)c2)N2CCSCC12
InChIInChI=1S/C12H12FN3OS/c13-9-3-1-2-8(6-9)11-14-15-12(17)10-7-18-5-4-16(10)11/h1-3,6,10H,4-5,7H2,(H,15,17)
InChIKeyFTSOXHODPNWZDM-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.03
Rot. Bonds1

About 4-(3-fluorophenyl)-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-1-one

4-(3-fluorophenyl)-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-1-one (PubChem CID 66966388) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-1-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-1-one
PubChem CID66966388
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC Name4-(3-fluorophenyl)-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-1-one
SMILESO=C1NN=C(c2cccc(F)c2)N2CCSCC12
InChIInChI=1S/C12H12FN3OS/c13-9-3-1-2-8(6-9)11-14-15-12(17)10-7-18-5-4-16(10)11/h1-3,6,10H,4-5,7H2,(H,15,17)
InChIKeyFTSOXHODPNWZDM-UHFFFAOYSA-N
XLogP1.03
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-nitrophenyl)-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-1-one
CID 66965379
4-morpholin-4-yl-N-[3-(1-oxo-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]butanamide
CID 87217742
2-(3-fluorophenyl)-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione
CID 82906161
methanesulfonic acid;4-morpholin-4-yl-N-[3-(1-oxo-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]butanamide
CID 87217741
5-(3-fluorophenyl)-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one
CID 79961663
5-oxo-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxaline-7-carbonitrile
CID 104720332
3-(3-fluorophenyl)-1,5-dihydropyrazol-4-one
CID 174470166
(3-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanone
CID 103595300
2-[3-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione
CID 82905845
3,7-bis(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 53047243
5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79438996
1-[3-(3-fluorophenyl)phenyl]piperazine
CID 82088997

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-1-one?
The IUPAC name of 4-(3-fluorophenyl)-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-1-one (CID 66966388) is 4-(3-fluorophenyl)-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-1-one.
What is the SMILES notation for 4-(3-fluorophenyl)-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-1-one?
The canonical SMILES for 4-(3-fluorophenyl)-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-1-one is O=C1NN=C(c2cccc(F)c2)N2CCSCC12.
What is the InChIKey of 4-(3-fluorophenyl)-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-1-one?
The InChIKey is FTSOXHODPNWZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c13-9-3-1-2-8(6-9)11-14-15-12(17)10-7-18-5-4-16(10)11/h1-3,6,10H,4-5,7H2,(H,15,17).
What are the key properties of 4-(3-fluorophenyl)-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-1-one?
4-(3-fluorophenyl)-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-1-one has a molecular weight of 265.31 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-1-one is sourced from PubChem (CID 66966388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).