(5S)-5-[3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1,2-thiazolidine 1,1-dioxide

C13H14F2N4O4S — CID 164635093

IUPAC(5S)-5-[3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1,2-thiazolidine 1,1-dioxide
SMILESCN1CC[C@@H](c2nc(-c3cccnc3OCC(F)F)no2)S1(=O)=O
InChIInChI=1S/C13H14F2N4O4S/c1-19-6-4-9(24(19,20)21)13-17-11(18-23-13)8-3-2-5-16-12(8)22-7-10(14)15/h2-3,5,9-10H,4,6-7H2,1H3/t9-/m0/s1
InChIKeyBURLLGQALDDECA-VIFPVBQESA-N
MW360.34 g/mol
LogP1.48
Rot. Bonds5

About (5S)-5-[3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1,2-thiazolidine 1,1-dioxide

(5S)-5-[3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 164635093) has the molecular formula C13H14F2N4O4S and a molecular weight of 360.34 g/mol. Its IUPAC name is (5S)-5-[3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name(5S)-5-[3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1,2-thiazolidine 1,1-dioxide
PubChem CID164635093
Molecular FormulaC13H14F2N4O4S
Molecular Weight360.34 g/mol
Exact Mass360.07
IUPAC Name(5S)-5-[3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1,2-thiazolidine 1,1-dioxide
SMILESCN1CC[C@@H](c2nc(-c3cccnc3OCC(F)F)no2)S1(=O)=O
InChIInChI=1S/C13H14F2N4O4S/c1-19-6-4-9(24(19,20)21)13-17-11(18-23-13)8-3-2-5-16-12(8)22-7-10(14)15/h2-3,5,9-10H,4,6-7H2,1H3/t9-/m0/s1
InChIKeyBURLLGQALDDECA-VIFPVBQESA-N
XLogP1.48
TPSA98.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5S)-5-[3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1,2-thiazolidine 1,1-dioxide with MolForge

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Related Compounds

3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole
CID 139004160
[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 121096523
(1S,2S,4R,5R)-4-[3-(2-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]bicyclo[3.1.0]hexan-2-amine
CID 138006876
3-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 163164504
5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole
CID 75131106
5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole
CID 75131120
5-methoxy-2-[[(2R)-2-[3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]phenol
CID 162807774
N-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 75131071
5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole
CID 75131108
3-(2-cyclohexyloxy-3-pyridinyl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 92591772
5-(difluoromethyl)-3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 28999716
(3aR,6aR)-N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide
CID 136582536

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of (5S)-5-[3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1,2-thiazolidine 1,1-dioxide (CID 164635093) is (5S)-5-[3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for (5S)-5-[3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for (5S)-5-[3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1,2-thiazolidine 1,1-dioxide is CN1CC[C@@H](c2nc(-c3cccnc3OCC(F)F)no2)S1(=O)=O.
What is the InChIKey of (5S)-5-[3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is BURLLGQALDDECA-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14F2N4O4S/c1-19-6-4-9(24(19,20)21)13-17-11(18-23-13)8-3-2-5-16-12(8)22-7-10(14)15/h2-3,5,9-10H,4,6-7H2,1H3/t9-/m0/s1.
What are the key properties of (5S)-5-[3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1,2-thiazolidine 1,1-dioxide?
(5S)-5-[3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 360.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 164635093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).