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

C10H10N2O3S — CID 6539147

IUPAC4-(4-methoxyphenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione
SMILESCOc1ccc(-n2c(=O)sn(C)c2=O)cc1
InChIInChI=1S/C10H10N2O3S/c1-11-9(13)12(10(14)16-11)7-3-5-8(15-2)6-4-7/h3-6H,1-2H3
InChIKeyPDTUDJWWGQIQSW-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.61
Rot. Bonds2

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

4-(4-methoxyphenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 6539147) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione
PubChem CID6539147
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name4-(4-methoxyphenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione
SMILESCOc1ccc(-n2c(=O)sn(C)c2=O)cc1
InChIInChI=1S/C10H10N2O3S/c1-11-9(13)12(10(14)16-11)7-3-5-8(15-2)6-4-7/h3-6H,1-2H3
InChIKeyPDTUDJWWGQIQSW-UHFFFAOYSA-N
XLogP0.61
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 4-(4-methoxyphenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione (CID 6539147) is 4-(4-methoxyphenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 4-(4-methoxyphenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione is COc1ccc(-n2c(=O)sn(C)c2=O)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is PDTUDJWWGQIQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-11-9(13)12(10(14)16-11)7-3-5-8(15-2)6-4-7/h3-6H,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione?
4-(4-methoxyphenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 238.27 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 6539147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).