2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine

C18H29FN4O2S — CID 51360636

IUPAC2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(C2CN(Cc3ccc(F)cc3)S(=O)(=O)C2)CC1
InChIInChI=1S/C18H29FN4O2S/c1-20(2)7-8-21-9-11-22(12-10-21)18-14-23(26(24,25)15-18)13-16-3-5-17(19)6-4-16/h3-6,18H,7-15H2,1-2H3
InChIKeyPAGJAWSWJAINIA-UHFFFAOYSA-N
MW384.52 g/mol
LogP0.52
Rot. Bonds6

About 2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine

2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 51360636) has the molecular formula C18H29FN4O2S and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID51360636
Molecular FormulaC18H29FN4O2S
Molecular Weight384.52 g/mol
Exact Mass384.20
IUPAC Name2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(C2CN(Cc3ccc(F)cc3)S(=O)(=O)C2)CC1
InChIInChI=1S/C18H29FN4O2S/c1-20(2)7-8-21-9-11-22(12-10-21)18-14-23(26(24,25)15-18)13-16-3-5-17(19)6-4-16/h3-6,18H,7-15H2,1-2H3
InChIKeyPAGJAWSWJAINIA-UHFFFAOYSA-N
XLogP0.52
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-Benzylpiperidin-4-yl)-4-methylsulfonylpiperazine
CID 878477
(E)-1-benzyl-4-(styrylsulfonyl)piperazine
CID 882298
1-Benzyl-4-(benzylsulfonyl)piperazine
CID 669283
1-Benzhydryl-4-[2-(trifluoromethylsulfonyl)ethyl]piperazine
CID 2324329
1-Ethylsulfonyl-4-(4-phenylbutan-2-yl)piperazine
CID 2902684
(5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
CID 3233118
1-[(3-Methylphenyl)methyl]-4-[(phenylmethyl)sulfonyl]piperazine
CID 8163021
1-Benzylsulfonyl-4-[(3-fluorophenyl)methyl]piperazine
CID 9443040
1-Benzyl-4-[(3-methylbenzyl)sulfonyl]piperazine
CID 17741443
N-[2-(2-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-methanesulfonamide
CID 44404538
N-Ethyl-N-[2-(2-fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-methanesulfonamide
CID 44404543
Ethanesulfonic acid biphenyl-2-ylmethyl-((S)-1-methyl-pyrrolidin-3-yl)-amide
CID 44578270

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine (CID 51360636) is 2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine is CN(C)CCN1CCN(C2CN(Cc3ccc(F)cc3)S(=O)(=O)C2)CC1.
What is the InChIKey of 2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is PAGJAWSWJAINIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN4O2S/c1-20(2)7-8-21-9-11-22(12-10-21)18-14-23(26(24,25)15-18)13-16-3-5-17(19)6-4-16/h3-6,18H,7-15H2,1-2H3.
What are the key properties of 2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 384.52 g/mol, XLogP of 0.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 51360636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).