(7R)-3-(4-methoxyphenyl)-7-naphthalen-1-yl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one

C22H17N3O2S — CID 1192948

IUPAC(7R)-3-(4-methoxyphenyl)-7-naphthalen-1-yl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one
SMILESCOc1ccc(-c2nnc3n2C(=O)C[C@H](c2cccc4ccccc24)S3)cc1
InChIInChI=1S/C22H17N3O2S/c1-27-16-11-9-15(10-12-16)21-23-24-22-25(21)20(26)13-19(28-22)18-8-4-6-14-5-2-3-7-17(14)18/h2-12,19H,13H2,1H3/t19-/m1/s1
InChIKeyQWNXOWKNMJDCAW-LJQANCHMSA-N
MW387.46 g/mol
LogP4.98
Rot. Bonds3

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

(7R)-3-(4-methoxyphenyl)-7-naphthalen-1-yl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one (PubChem CID 1192948) has the molecular formula C22H17N3O2S and a molecular weight of 387.46 g/mol. Its IUPAC name is (7R)-3-(4-methoxyphenyl)-7-naphthalen-1-yl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one.

Molecular Properties

Compound Name(7R)-3-(4-methoxyphenyl)-7-naphthalen-1-yl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one
PubChem CID1192948
Molecular FormulaC22H17N3O2S
Molecular Weight387.46 g/mol
Exact Mass387.10
IUPAC Name(7R)-3-(4-methoxyphenyl)-7-naphthalen-1-yl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one
SMILESCOc1ccc(-c2nnc3n2C(=O)C[C@H](c2cccc4ccccc24)S3)cc1
InChIInChI=1S/C22H17N3O2S/c1-27-16-11-9-15(10-12-16)21-23-24-22-25(21)20(26)13-19(28-22)18-8-4-6-14-5-2-3-7-17(14)18/h2-12,19H,13H2,1H3/t19-/m1/s1
InChIKeyQWNXOWKNMJDCAW-LJQANCHMSA-N
XLogP4.98
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-naphthalen-1-yl-3-phenyl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one
CID 21238274
(7R)-7-(4-fluorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one
CID 1192950
(6R)-6-(2-methoxyphenyl)-3-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 7052137
4-(3-methoxyphenyl)-2-naphthalen-1-yl-2,3-dihydrothiophen-5-amine
CID 70441897
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole
CID 102231682
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole
CID 4540411
3,5-dimethoxy-2-(2-naphthalen-1-yl-2,3-dihydro-1,5-benzothiazepin-4-yl)phenol
CID 177454275
5-(4-methoxyphenyl)-2-(4-methylphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
CID 2916637
5,33-bis(4-methoxyphenyl)-17,21-dioxa-9,29-dithia-3,4,6,7,31,32,34,35,38,45-decazanonacyclo[35.8.0.02,10.04,8.011,16.022,27.028,36.030,34.039,44]pentatetraconta-1(45),5,7,11,13,15,22,24,26,30,32,37,39,41,43-pentadecaene
CID 101172844
(7R)-6-(4-methoxyphenyl)-7-methyl-3-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 8669860
2-(2-chlorophenyl)-4-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine
CID 5054806
(4S)-1-(4-methoxyphenyl)-3,3-dimethyl-4-naphthalen-1-ylazetidin-2-one
CID 15260095

Frequently Asked Questions

What is the IUPAC name of (7R)-3-(4-methoxyphenyl)-7-naphthalen-1-yl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one?
The IUPAC name of (7R)-3-(4-methoxyphenyl)-7-naphthalen-1-yl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one (CID 1192948) is (7R)-3-(4-methoxyphenyl)-7-naphthalen-1-yl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one.
What is the SMILES notation for (7R)-3-(4-methoxyphenyl)-7-naphthalen-1-yl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one?
The canonical SMILES for (7R)-3-(4-methoxyphenyl)-7-naphthalen-1-yl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one is COc1ccc(-c2nnc3n2C(=O)C[C@H](c2cccc4ccccc24)S3)cc1.
What is the InChIKey of (7R)-3-(4-methoxyphenyl)-7-naphthalen-1-yl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one?
The InChIKey is QWNXOWKNMJDCAW-LJQANCHMSA-N. The full InChI is InChI=1S/C22H17N3O2S/c1-27-16-11-9-15(10-12-16)21-23-24-22-25(21)20(26)13-19(28-22)18-8-4-6-14-5-2-3-7-17(14)18/h2-12,19H,13H2,1H3/t19-/m1/s1.
What are the key properties of (7R)-3-(4-methoxyphenyl)-7-naphthalen-1-yl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one?
(7R)-3-(4-methoxyphenyl)-7-naphthalen-1-yl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one has a molecular weight of 387.46 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3-(4-methoxyphenyl)-7-naphthalen-1-yl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one is sourced from PubChem (CID 1192948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).