4-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione

C17H16N2O3S — CID 25125116

IUPAC4-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione
SMILESCOc1ccc(Cn2c(=O)sn(-c3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C17H16N2O3S/c1-12-3-7-14(8-4-12)19-16(20)18(17(21)23-19)11-13-5-9-15(22-2)10-6-13/h3-10H,11H2,1-2H3
InChIKeyDQYLKVUNIFKTHY-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.43
Rot. Bonds4

About 4-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione

4-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 25125116) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione
PubChem CID25125116
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name4-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione
SMILESCOc1ccc(Cn2c(=O)sn(-c3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C17H16N2O3S/c1-12-3-7-14(8-4-12)19-16(20)18(17(21)23-19)11-13-5-9-15(22-2)10-6-13/h3-10H,11H2,1-2H3
InChIKeyDQYLKVUNIFKTHY-UHFFFAOYSA-N
XLogP2.43
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-4-[(4-chlorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
CID 70925941
2,4-bis[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
CID 70926295
4-benzyl-2-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione;methane
CID 159183792
6-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]pyridin-2-one
CID 4194648
ethane;1-methoxy-4-methylbenzene;1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 144616946
6-chloro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 57423840
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403
3-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 20879749
5-[(4-methoxyphenyl)methyl]-2-[(4-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-one
CID 59016044
1-(113C)methoxy-4-methylbenzene
CID 166176950
3-[(4-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 16577297
6-chloro-1-[(4-ethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 143501880

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione (CID 25125116) is 4-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione is COc1ccc(Cn2c(=O)sn(-c3ccc(C)cc3)c2=O)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is DQYLKVUNIFKTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-12-3-7-14(8-4-12)19-16(20)18(17(21)23-19)11-13-5-9-15(22-2)10-6-13/h3-10H,11H2,1-2H3.
What are the key properties of 4-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione?
4-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 328.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 25125116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).