4-benzyl-2-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione

C19H14N2O2S — CID 11313622

IUPAC4-benzyl-2-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione
SMILESO=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1
InChIInChI=1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2
InChIKeyPMJIHLSCWIDGMD-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.26
Rot. Bonds3

About 4-benzyl-2-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione

4-benzyl-2-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 11313622) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-benzyl-2-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name4-benzyl-2-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione
PubChem CID11313622
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name4-benzyl-2-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione
SMILESO=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1
InChIInChI=1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2
InChIKeyPMJIHLSCWIDGMD-UHFFFAOYSA-N
XLogP3.26
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-2-(2-tert-butyl-6-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione;methane
CID 160700679
4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione;methane
CID 157242048
4-benzyl-2-prop-2-enyl-1,2,4-thiadiazolidine-3,5-dione
CID 56673933
1,3-dibenzylphenanthro[9,10-d]imidazol-2-one
CID 11509882
4-benzyl-2-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione;methane
CID 159183792
2-(4-chlorophenyl)-4-[(4-chlorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
CID 70925941
(E)-4-(4-benzyl-3,5-dioxo-1,2,4-thiadiazolidin-2-yl)but-2-enoic acid
CID 129085024
2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 633879
1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 15495786
4-benzyl-1,2,4-thiadiazolidine-3,5-dione
CID 22507205
(1S,7R,8S,9R)-4-benzyl-8,9-dibromo-2,4,6-triazatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98152927
N'-[4-(4-benzyl-3,5-dioxo-1,2,4-thiadiazolidin-2-yl)phenyl]octanediamide
CID 129085013

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 4-benzyl-2-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione (CID 11313622) is 4-benzyl-2-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 4-benzyl-2-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 4-benzyl-2-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione is O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1.
What is the InChIKey of 4-benzyl-2-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is PMJIHLSCWIDGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2.
What are the key properties of 4-benzyl-2-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione?
4-benzyl-2-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 334.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 11313622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).