2-[3-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiane 1,1-dioxide

C13H15N3O4S — CID 154769548

IUPAC2-[3-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiane 1,1-dioxide
SMILESCOc1ccnc(-c2noc(C3CCCCS3(=O)=O)n2)c1
InChIInChI=1S/C13H15N3O4S/c1-19-9-5-6-14-10(8-9)12-15-13(20-16-12)11-4-2-3-7-21(11,17)18/h5-6,8,11H,2-4,7H2,1H3
InChIKeyWYDDFEWQZSLTBA-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.78
Rot. Bonds3

About 2-[3-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiane 1,1-dioxide

2-[3-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiane 1,1-dioxide (PubChem CID 154769548) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-[3-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiane 1,1-dioxide.

Molecular Properties

Compound Name2-[3-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiane 1,1-dioxide
PubChem CID154769548
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name2-[3-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiane 1,1-dioxide
SMILESCOc1ccnc(-c2noc(C3CCCCS3(=O)=O)n2)c1
InChIInChI=1S/C13H15N3O4S/c1-19-9-5-6-14-10(8-9)12-15-13(20-16-12)11-4-2-3-7-21(11,17)18/h5-6,8,11H,2-4,7H2,1H3
InChIKeyWYDDFEWQZSLTBA-UHFFFAOYSA-N
XLogP1.78
TPSA95.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);decakis(oxygen(2-));tungsten;bis(vanadium)
CID 53380093
3-(4-methyl-2-pyridinyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914942
3-[4-(2-methoxyethoxy)-2-pyridinyl]-5-[(2R)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 162933789
5-[(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazole
CID 162799085
3-[4-(2-methoxyethoxy)-2-pyridinyl]-5-[(2R)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 163060423
5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazole
CID 162861370
5-(1,1-dioxothian-2-yl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 104522912
ethane;5-(4-methoxy-2-pyridinyl)-3-methyl-1,2,4-oxadiazole
CID 144912637
2-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)thiane 1,1-dioxide
CID 115078016
[5-[[2-[3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]furan-2-yl]methanol
CID 75131135
5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazole
CID 75131153
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiane 1,1-dioxide?
The IUPAC name of 2-[3-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiane 1,1-dioxide (CID 154769548) is 2-[3-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiane 1,1-dioxide.
What is the SMILES notation for 2-[3-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiane 1,1-dioxide?
The canonical SMILES for 2-[3-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiane 1,1-dioxide is COc1ccnc(-c2noc(C3CCCCS3(=O)=O)n2)c1.
What is the InChIKey of 2-[3-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiane 1,1-dioxide?
The InChIKey is WYDDFEWQZSLTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-19-9-5-6-14-10(8-9)12-15-13(20-16-12)11-4-2-3-7-21(11,17)18/h5-6,8,11H,2-4,7H2,1H3.
What are the key properties of 2-[3-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiane 1,1-dioxide?
2-[3-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiane 1,1-dioxide has a molecular weight of 309.35 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiane 1,1-dioxide is sourced from PubChem (CID 154769548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).