N'-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine

C15H24FN3O2S — CID 51360648

IUPACN'-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)C1CN(Cc2ccc(F)cc2)S(=O)(=O)C1
InChIInChI=1S/C15H24FN3O2S/c1-17(2)8-9-18(3)15-11-19(22(20,21)12-15)10-13-4-6-14(16)7-5-13/h4-7,15H,8-12H2,1-3H3
InChIKeyIWPNSAKCNBKSHP-UHFFFAOYSA-N
MW329.44 g/mol
LogP0.83
Rot. Bonds6

About N'-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine

N'-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 51360648) has the molecular formula C15H24FN3O2S and a molecular weight of 329.44 g/mol. Its IUPAC name is N'-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID51360648
Molecular FormulaC15H24FN3O2S
Molecular Weight329.44 g/mol
Exact Mass329.16
IUPAC NameN'-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)C1CN(Cc2ccc(F)cc2)S(=O)(=O)C1
InChIInChI=1S/C15H24FN3O2S/c1-17(2)8-9-18(3)15-11-19(22(20,21)12-15)10-13-4-6-14(16)7-5-13/h4-7,15H,8-12H2,1-3H3
InChIKeyIWPNSAKCNBKSHP-UHFFFAOYSA-N
XLogP0.83
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine (CID 51360648) is N'-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)C1CN(Cc2ccc(F)cc2)S(=O)(=O)C1.
What is the InChIKey of N'-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is IWPNSAKCNBKSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O2S/c1-17(2)8-9-18(3)15-11-19(22(20,21)12-15)10-13-4-6-14(16)7-5-13/h4-7,15H,8-12H2,1-3H3.
What are the key properties of N'-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 329.44 g/mol, XLogP of 0.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 51360648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).