1-(1,3-benzothiazol-2-yl)-4-naphthalen-1-yl-1,2,4-triazolidine-3,5-dione

C19H12N4O2S — CID 10451143

IUPAC1-(1,3-benzothiazol-2-yl)-4-naphthalen-1-yl-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH]n(-c2nc3ccccc3s2)c(=O)n1-c1cccc2ccccc12
InChIInChI=1S/C19H12N4O2S/c24-17-21-23(18-20-14-9-3-4-11-16(14)26-18)19(25)22(17)15-10-5-7-12-6-1-2-8-13(12)15/h1-11H,(H,21,24)
InChIKeyNSZXMORNJBOWFM-UHFFFAOYSA-N
MW360.40 g/mol
LogP3.08
Rot. Bonds2

About 1-(1,3-benzothiazol-2-yl)-4-naphthalen-1-yl-1,2,4-triazolidine-3,5-dione

1-(1,3-benzothiazol-2-yl)-4-naphthalen-1-yl-1,2,4-triazolidine-3,5-dione (PubChem CID 10451143) has the molecular formula C19H12N4O2S and a molecular weight of 360.40 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-4-naphthalen-1-yl-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-4-naphthalen-1-yl-1,2,4-triazolidine-3,5-dione
PubChem CID10451143
Molecular FormulaC19H12N4O2S
Molecular Weight360.40 g/mol
Exact Mass360.07
IUPAC Name1-(1,3-benzothiazol-2-yl)-4-naphthalen-1-yl-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH]n(-c2nc3ccccc3s2)c(=O)n1-c1cccc2ccccc12
InChIInChI=1S/C19H12N4O2S/c24-17-21-23(18-20-14-9-3-4-11-16(14)26-18)19(25)22(17)15-10-5-7-12-6-1-2-8-13(12)15/h1-11H,(H,21,24)
InChIKeyNSZXMORNJBOWFM-UHFFFAOYSA-N
XLogP3.08
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1,3-benzothiazol-2-yl)-4-naphthalen-1-yl-1,2,4-triazolidine-3,5-dione with MolForge

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Related Compounds

2-(1,3-benzothiazol-2-yl)-3-methyl-1H-1,2,4-triazol-5-one
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2-[2-(1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-5-yl]acetate
CID 6925830
2-(1,3-benzothiazol-2-yl)-5-cyclopropyl-1H-pyrazol-3-one
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2-(1,3-benzothiazol-2-yl)-5-methyl-4-[C-methyl-N-(2-methylpropyl)carbonimidoyl]-1H-pyrazol-3-one
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3-naphthalen-1-yl-1H-quinazoline-2,4-dione
CID 11266204
2-(1,3-benzothiazol-2-yl)-4-ethyl-5-(2-methoxyethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 17020021
2-(1,3-benzothiazol-2-yl)-4-methanimidoyl-5-(4-methylphenyl)-1H-pyrazol-3-one
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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-4-naphthalen-1-yl-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-4-naphthalen-1-yl-1,2,4-triazolidine-3,5-dione (CID 10451143) is 1-(1,3-benzothiazol-2-yl)-4-naphthalen-1-yl-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-4-naphthalen-1-yl-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-4-naphthalen-1-yl-1,2,4-triazolidine-3,5-dione is O=c1[nH]n(-c2nc3ccccc3s2)c(=O)n1-c1cccc2ccccc12.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-4-naphthalen-1-yl-1,2,4-triazolidine-3,5-dione?
The InChIKey is NSZXMORNJBOWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O2S/c24-17-21-23(18-20-14-9-3-4-11-16(14)26-18)19(25)22(17)15-10-5-7-12-6-1-2-8-13(12)15/h1-11H,(H,21,24).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-4-naphthalen-1-yl-1,2,4-triazolidine-3,5-dione?
1-(1,3-benzothiazol-2-yl)-4-naphthalen-1-yl-1,2,4-triazolidine-3,5-dione has a molecular weight of 360.40 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-4-naphthalen-1-yl-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 10451143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).