2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide

C11H10F3N3O3S2 — CID 155074996

IUPAC2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1Cc1cc(-c2noc(C(F)(F)F)n2)cs1
InChIInChI=1S/C11H10F3N3O3S2/c12-11(13,14)10-15-9(16-20-10)7-4-8(21-6-7)5-17-2-1-3-22(17,18)19/h4,6H,1-3,5H2
InChIKeyGNZFGCZOGQLMPV-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.35
Rot. Bonds3

About 2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide

2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 155074996) has the molecular formula C11H10F3N3O3S2 and a molecular weight of 353.35 g/mol. Its IUPAC name is 2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID155074996
Molecular FormulaC11H10F3N3O3S2
Molecular Weight353.35 g/mol
Exact Mass353.01
IUPAC Name2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1Cc1cc(-c2noc(C(F)(F)F)n2)cs1
InChIInChI=1S/C11H10F3N3O3S2/c12-11(13,14)10-15-9(16-20-10)7-4-8(21-6-7)5-17-2-1-3-22(17,18)19/h4,6H,1-3,5H2
InChIKeyGNZFGCZOGQLMPV-UHFFFAOYSA-N
XLogP2.35
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide with MolForge

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Related Compounds

2-[[2-chloro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide
CID 129196219
N-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 159971292
pyrrolidin-1-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 71230722
azepan-1-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 86777416
1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]iminothiane 1-oxide
CID 152578545
3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 90464045
1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]piperidin-2-one
CID 129188276
1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazole-4-carboxylic acid
CID 137371847
1-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]piperidin-2-one
CID 155193010
4-piperidin-1-yl-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butan-2-one
CID 159688802
3-[methyl-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]amino]-4-piperidin-1-ylcyclobut-3-ene-1,2-dione
CID 158569732
3-methyl-2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1H-pyrazol-5-one
CID 139532702

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide (CID 155074996) is 2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1Cc1cc(-c2noc(C(F)(F)F)n2)cs1.
What is the InChIKey of 2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is GNZFGCZOGQLMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O3S2/c12-11(13,14)10-15-9(16-20-10)7-4-8(21-6-7)5-17-2-1-3-22(17,18)19/h4,6H,1-3,5H2.
What are the key properties of 2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide?
2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 353.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 155074996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).