(5R)-2-(3-methylphenyl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one

C18H15N3OS — CID 7160480

IUPAC(5R)-2-(3-methylphenyl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
SMILESCc1cccc(-c2nc3n(n2)C(=O)C[C@H](c2ccccc2)S3)c1
InChIInChI=1S/C18H15N3OS/c1-12-6-5-9-14(10-12)17-19-18-21(20-17)16(22)11-15(23-18)13-7-3-2-4-8-13/h2-10,15H,11H2,1H3/t15-/m1/s1
InChIKeyJXPDWUFTHFJEIJ-OAHLLOKOSA-N
MW321.41 g/mol
LogP4.13
Rot. Bonds2

About (5R)-2-(3-methylphenyl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one

(5R)-2-(3-methylphenyl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one (PubChem CID 7160480) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is (5R)-2-(3-methylphenyl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one.

Molecular Properties

Compound Name(5R)-2-(3-methylphenyl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
PubChem CID7160480
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name(5R)-2-(3-methylphenyl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
SMILESCc1cccc(-c2nc3n(n2)C(=O)C[C@H](c2ccccc2)S3)c1
InChIInChI=1S/C18H15N3OS/c1-12-6-5-9-14(10-12)17-19-18-21(20-17)16(22)11-15(23-18)13-7-3-2-4-8-13/h2-10,15H,11H2,1H3/t15-/m1/s1
InChIKeyJXPDWUFTHFJEIJ-OAHLLOKOSA-N
XLogP4.13
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R)-2-(3-methylphenyl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one with MolForge

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Related Compounds

2-(3-methylphenyl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
CID 4229508
(5R)-5-(4-fluorophenyl)-2-(3-methylphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
CID 7160452
5-(4-methoxyphenyl)-2-(4-methylphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
CID 2916637
(5R)-2-(3,4-dichlorophenyl)-5-(3-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
CID 1248967
(5R)-2,5-bis(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
CID 699857
(5R)-2-phenyl-5-thiophen-2-yl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
CID 950050
(5S)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
CID 1045322
(5R)-2-(1-adamantyl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
CID 7125592
N,N-dimethyl-4-[10-(3-methylphenyl)-4-phenyl-7-thia-1,3,4,9,11-pentazatricyclo[6.3.0.02,6]undeca-2,8,10-trien-5-yl]aniline
CID 100998224
2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 82357957
(4aR,8aS)-8a-hydroxy-7,7-dimethyl-2-(3-methylphenyl)-6,8-dihydro-4aH-[1,2,4]triazolo[5,1-b][1,3]benzothiazol-5-one
CID 681848
1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole
CID 130289066

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(3-methylphenyl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one?
The IUPAC name of (5R)-2-(3-methylphenyl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one (CID 7160480) is (5R)-2-(3-methylphenyl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one.
What is the SMILES notation for (5R)-2-(3-methylphenyl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one?
The canonical SMILES for (5R)-2-(3-methylphenyl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one is Cc1cccc(-c2nc3n(n2)C(=O)C[C@H](c2ccccc2)S3)c1.
What is the InChIKey of (5R)-2-(3-methylphenyl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one?
The InChIKey is JXPDWUFTHFJEIJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-12-6-5-9-14(10-12)17-19-18-21(20-17)16(22)11-15(23-18)13-7-3-2-4-8-13/h2-10,15H,11H2,1H3/t15-/m1/s1.
What are the key properties of (5R)-2-(3-methylphenyl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one?
(5R)-2-(3-methylphenyl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one has a molecular weight of 321.41 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(3-methylphenyl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one is sourced from PubChem (CID 7160480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).