4-methyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione

C9H8N2O2S — CID 2732726

IUPAC4-methyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione
SMILESCn1c(=O)sn(-c2ccccc2)c1=O
InChIInChI=1S/C9H8N2O2S/c1-10-8(12)11(14-9(10)13)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyKWKUDDYECAOINY-UHFFFAOYSA-N
MW208.24 g/mol
LogP0.60
Rot. Bonds1

About 4-methyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione

4-methyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 2732726) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 4-methyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name4-methyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione
PubChem CID2732726
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name4-methyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione
SMILESCn1c(=O)sn(-c2ccccc2)c1=O
InChIInChI=1S/C9H8N2O2S/c1-10-8(12)11(14-9(10)13)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyKWKUDDYECAOINY-UHFFFAOYSA-N
XLogP0.60
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 4-methyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione (CID 2732726) is 4-methyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 4-methyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 4-methyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione is Cn1c(=O)sn(-c2ccccc2)c1=O.
What is the InChIKey of 4-methyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is KWKUDDYECAOINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-10-8(12)11(14-9(10)13)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 4-methyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione?
4-methyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 208.24 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 2732726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).