4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione

C10H7F3N2O2S — CID 134116227

IUPAC4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione
SMILESCn1c(=O)sn(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C10H7F3N2O2S/c1-14-8(16)15(18-9(14)17)7-4-2-3-6(5-7)10(11,12)13/h2-5H,1H3
InChIKeyVXUQBMACKLUFJY-UHFFFAOYSA-N
MW276.24 g/mol
LogP1.62
Rot. Bonds1

About 4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione

4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 134116227) has the molecular formula C10H7F3N2O2S and a molecular weight of 276.24 g/mol. Its IUPAC name is 4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione
PubChem CID134116227
Molecular FormulaC10H7F3N2O2S
Molecular Weight276.24 g/mol
Exact Mass276.02
IUPAC Name4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione
SMILESCn1c(=O)sn(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C10H7F3N2O2S/c1-14-8(16)15(18-9(14)17)7-4-2-3-6(5-7)10(11,12)13/h2-5H,1H3
InChIKeyVXUQBMACKLUFJY-UHFFFAOYSA-N
XLogP1.62
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 91669634
2-(3,4-dimethylphenyl)-4-methyl-1,2,4-thiadiazolidine-3,5-dione
CID 134116217
3,4,4-trimethyl-5-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 57067232
3-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 18439300
2,4-dimethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,2,4-triazine-3,5-dione
CID 58269761
3-methyl-5-methylidene-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 10400913
2,8-dimethyl-5,11-bis[3-(trifluoromethyl)phenyl]-5,11-diaza-2,8-diarsatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone
CID 102195126
(3aS,4R,7S,7aS)-4,7-dimethyl-2-[3-(trifluoromethyl)phenyl]-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 27233869
2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide
CID 140722626
8-chloro-1,3-dimethyl-7-[3-(trifluoromethyl)phenyl]purine-2,6-dione
CID 57498908
(5E)-3-methyl-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]imidazolidine-2,4-dione
CID 126198877
4-bromo-2,4-dimethyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-one
CID 118538243

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione (CID 134116227) is 4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione is Cn1c(=O)sn(-c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is VXUQBMACKLUFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2S/c1-14-8(16)15(18-9(14)17)7-4-2-3-6(5-7)10(11,12)13/h2-5H,1H3.
What are the key properties of 4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione?
4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 276.24 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 134116227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).