2-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione

C15H10ClFN2O2S — CID 25125461

IUPAC2-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
SMILESO=c1sn(-c2ccc(Cl)cc2)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C15H10ClFN2O2S/c16-11-3-7-13(8-4-11)19-14(20)18(15(21)22-19)9-10-1-5-12(17)6-2-10/h1-8H,9H2
InChIKeyAXKJHYNKEKWALS-UHFFFAOYSA-N
MW336.78 g/mol
LogP2.90
Rot. Bonds3

About 2-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione

2-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 25125461) has the molecular formula C15H10ClFN2O2S and a molecular weight of 336.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
PubChem CID25125461
Molecular FormulaC15H10ClFN2O2S
Molecular Weight336.78 g/mol
Exact Mass336.01
IUPAC Name2-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
SMILESO=c1sn(-c2ccc(Cl)cc2)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C15H10ClFN2O2S/c16-11-3-7-13(8-4-11)19-14(20)18(15(21)22-19)9-10-1-5-12(17)6-2-10/h1-8H,9H2
InChIKeyAXKJHYNKEKWALS-UHFFFAOYSA-N
XLogP2.90
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Benzyl-3-(4-chlorophenyl)urea
CID 730667
Ccg-50014
CID 2733079
4-(4-Chlorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione
CID 6539144
N-benzyl-N'-(4-chlorophenyl)-N-methylurea
CID 730303
6-amino-3-benzyl-1-(4-chlorophenyl)-2,4(1H,3H)-pyrimidinedione
CID 2823053
[(4-chlorophenyl)amino]-N-[2-(4-fluorophenyl)ethyl]carboxamide
CID 4177162
4-[(4-Fluorophenyl)methyl]-2-(3-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione
CID 25125122
2-(3-Chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
CID 25125458
1-(4-Chlorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 27870031
1-(4-Chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 27870703
4-Benzyl-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione
CID 70681820
4-Benzyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione
CID 70681821

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 2-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione (CID 25125461) is 2-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 2-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione is O=c1sn(-c2ccc(Cl)cc2)c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is AXKJHYNKEKWALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2S/c16-11-3-7-13(8-4-11)19-14(20)18(15(21)22-19)9-10-1-5-12(17)6-2-10/h1-8H,9H2.
What are the key properties of 2-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
2-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 336.78 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 25125461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).