7-naphthalen-1-yl-3-phenyl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one

C21H15N3OS — CID 21238274

IUPAC7-naphthalen-1-yl-3-phenyl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one
SMILESO=C1CC(c2cccc3ccccc23)Sc2nnc(-c3ccccc3)n21
InChIInChI=1S/C21H15N3OS/c25-19-13-18(17-12-6-10-14-7-4-5-11-16(14)17)26-21-23-22-20(24(19)21)15-8-2-1-3-9-15/h1-12,18H,13H2
InChIKeyBSDCYJOFGIMSKT-UHFFFAOYSA-N
MW357.44 g/mol
LogP4.98
Rot. Bonds2

About 7-naphthalen-1-yl-3-phenyl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one

7-naphthalen-1-yl-3-phenyl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one (PubChem CID 21238274) has the molecular formula C21H15N3OS and a molecular weight of 357.44 g/mol. Its IUPAC name is 7-naphthalen-1-yl-3-phenyl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one.

Molecular Properties

Compound Name7-naphthalen-1-yl-3-phenyl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one
PubChem CID21238274
Molecular FormulaC21H15N3OS
Molecular Weight357.44 g/mol
Exact Mass357.09
IUPAC Name7-naphthalen-1-yl-3-phenyl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one
SMILESO=C1CC(c2cccc3ccccc23)Sc2nnc(-c3ccccc3)n21
InChIInChI=1S/C21H15N3OS/c25-19-13-18(17-12-6-10-14-7-4-5-11-16(14)17)26-21-23-22-20(24(19)21)15-8-2-1-3-9-15/h1-12,18H,13H2
InChIKeyBSDCYJOFGIMSKT-UHFFFAOYSA-N
XLogP4.98
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-naphthalen-1-yl-3-phenyl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one with MolForge

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Related Compounds

(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
(7R)-7-(4-fluorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one
CID 1192950
12-phenyl-17-thia-11,13,14-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,12,14-heptaene
CID 10425847
5,7-dimethyl-3-naphthalen-1-yl-2,3-dihydrothieno[3,4-b][1,4]dithiine
CID 129198514
6-(2-chlorophenyl)-3-phenyl-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 45129323
4-(3-methoxyphenyl)-2-naphthalen-1-yl-2,3-dihydrothiophen-5-amine
CID 70441897
2-(3-methylphenyl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
CID 4229508
(5R)-2-(3-methylphenyl)-5-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
CID 7160480
3-naphthalen-1-yl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-5-one
CID 677906
4-(3-methylnaphthalen-1-yl)-3,5-diphenyl-1,2,4-triazole
CID 144738826
(3R)-3-naphthalen-1-yl-2,3-dihydroinden-1-one
CID 134952620
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 1023204

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-1-yl-3-phenyl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one?
The IUPAC name of 7-naphthalen-1-yl-3-phenyl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one (CID 21238274) is 7-naphthalen-1-yl-3-phenyl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one.
What is the SMILES notation for 7-naphthalen-1-yl-3-phenyl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one?
The canonical SMILES for 7-naphthalen-1-yl-3-phenyl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one is O=C1CC(c2cccc3ccccc23)Sc2nnc(-c3ccccc3)n21.
What is the InChIKey of 7-naphthalen-1-yl-3-phenyl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one?
The InChIKey is BSDCYJOFGIMSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3OS/c25-19-13-18(17-12-6-10-14-7-4-5-11-16(14)17)26-21-23-22-20(24(19)21)15-8-2-1-3-9-15/h1-12,18H,13H2.
What are the key properties of 7-naphthalen-1-yl-3-phenyl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one?
7-naphthalen-1-yl-3-phenyl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one has a molecular weight of 357.44 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-1-yl-3-phenyl-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one is sourced from PubChem (CID 21238274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).