3-[2-[3-[4-[(4-fluorophenyl)methylamino]cyclohexyl]oxadiaziridin-2-yl]ethyl]-1,3-thiazolidine-4-carbonitrile

C19H26FN5OS — CID 87952652

IUPAC3-[2-[3-[4-[(4-fluorophenyl)methylamino]cyclohexyl]oxadiaziridin-2-yl]ethyl]-1,3-thiazolidine-4-carbonitrile
SMILESN#CC1CSCN1CCn1on1C1CCC(NCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H26FN5OS/c20-16-3-1-15(2-4-16)12-22-17-5-7-18(8-6-17)25-24(26-25)10-9-23-14-27-13-19(23)11-21/h1-4,17-19,22H,5-10,12-14H2
InChIKeyMEYMDKVNCPSPAG-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.19
Rot. Bonds7

About 3-[2-[3-[4-[(4-fluorophenyl)methylamino]cyclohexyl]oxadiaziridin-2-yl]ethyl]-1,3-thiazolidine-4-carbonitrile

3-[2-[3-[4-[(4-fluorophenyl)methylamino]cyclohexyl]oxadiaziridin-2-yl]ethyl]-1,3-thiazolidine-4-carbonitrile (PubChem CID 87952652) has the molecular formula C19H26FN5OS and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-[2-[3-[4-[(4-fluorophenyl)methylamino]cyclohexyl]oxadiaziridin-2-yl]ethyl]-1,3-thiazolidine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-[3-[4-[(4-fluorophenyl)methylamino]cyclohexyl]oxadiaziridin-2-yl]ethyl]-1,3-thiazolidine-4-carbonitrile
PubChem CID87952652
Molecular FormulaC19H26FN5OS
Molecular Weight391.52 g/mol
Exact Mass391.18
IUPAC Name3-[2-[3-[4-[(4-fluorophenyl)methylamino]cyclohexyl]oxadiaziridin-2-yl]ethyl]-1,3-thiazolidine-4-carbonitrile
SMILESN#CC1CSCN1CCn1on1C1CCC(NCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H26FN5OS/c20-16-3-1-15(2-4-16)12-22-17-5-7-18(8-6-17)25-24(26-25)10-9-23-14-27-13-19(23)11-21/h1-4,17-19,22H,5-10,12-14H2
InChIKeyMEYMDKVNCPSPAG-UHFFFAOYSA-N
XLogP3.19
TPSA62.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-[3-[4-[(4-fluorophenyl)methylamino]cyclohexyl]oxadiaziridin-2-yl]ethyl]-1,3-thiazolidine-4-carbonitrile with MolForge

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Related Compounds

4-[(4-fluorophenyl)methylamino]cyclohexane-1-carbonitrile
CID 115150124
1-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 43234139
N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride
CID 126650805
4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]benzonitrile
CID 43747011
N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 22386980
N-[(4-fluorophenyl)methyl]oxetan-3-amine
CID 56604676
N-[(4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65081377
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62454139
N-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283164
4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-fluorophenol
CID 107685595
2-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene-2,5-diamine
CID 22319309
N-[[4-(2,5-difluorophenyl)-3-fluorophenyl]methyl]cyclopropanamine
CID 81447955

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[4-[(4-fluorophenyl)methylamino]cyclohexyl]oxadiaziridin-2-yl]ethyl]-1,3-thiazolidine-4-carbonitrile?
The IUPAC name of 3-[2-[3-[4-[(4-fluorophenyl)methylamino]cyclohexyl]oxadiaziridin-2-yl]ethyl]-1,3-thiazolidine-4-carbonitrile (CID 87952652) is 3-[2-[3-[4-[(4-fluorophenyl)methylamino]cyclohexyl]oxadiaziridin-2-yl]ethyl]-1,3-thiazolidine-4-carbonitrile.
What is the SMILES notation for 3-[2-[3-[4-[(4-fluorophenyl)methylamino]cyclohexyl]oxadiaziridin-2-yl]ethyl]-1,3-thiazolidine-4-carbonitrile?
The canonical SMILES for 3-[2-[3-[4-[(4-fluorophenyl)methylamino]cyclohexyl]oxadiaziridin-2-yl]ethyl]-1,3-thiazolidine-4-carbonitrile is N#CC1CSCN1CCn1on1C1CCC(NCc2ccc(F)cc2)CC1.
What is the InChIKey of 3-[2-[3-[4-[(4-fluorophenyl)methylamino]cyclohexyl]oxadiaziridin-2-yl]ethyl]-1,3-thiazolidine-4-carbonitrile?
The InChIKey is MEYMDKVNCPSPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5OS/c20-16-3-1-15(2-4-16)12-22-17-5-7-18(8-6-17)25-24(26-25)10-9-23-14-27-13-19(23)11-21/h1-4,17-19,22H,5-10,12-14H2.
What are the key properties of 3-[2-[3-[4-[(4-fluorophenyl)methylamino]cyclohexyl]oxadiaziridin-2-yl]ethyl]-1,3-thiazolidine-4-carbonitrile?
3-[2-[3-[4-[(4-fluorophenyl)methylamino]cyclohexyl]oxadiaziridin-2-yl]ethyl]-1,3-thiazolidine-4-carbonitrile has a molecular weight of 391.52 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[4-[(4-fluorophenyl)methylamino]cyclohexyl]oxadiaziridin-2-yl]ethyl]-1,3-thiazolidine-4-carbonitrile is sourced from PubChem (CID 87952652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).