2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-5-sulfonamide

C12H13N5O3S2 — CID 131931459

IUPAC2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCc2noc(-c3cccs3)n2)[nH]1
InChIInChI=1S/C12H13N5O3S2/c1-2-9-13-7-11(15-9)22(18,19)14-6-10-16-12(20-17-10)8-4-3-5-21-8/h3-5,7,14H,2,6H2,1H3,(H,13,15)
InChIKeyOXXDUXMTKMXNJQ-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.56
Rot. Bonds6

About 2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-5-sulfonamide

2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-5-sulfonamide (PubChem CID 131931459) has the molecular formula C12H13N5O3S2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-5-sulfonamide
PubChem CID131931459
Molecular FormulaC12H13N5O3S2
Molecular Weight339.40 g/mol
Exact Mass339.05
IUPAC Name2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCc2noc(-c3cccs3)n2)[nH]1
InChIInChI=1S/C12H13N5O3S2/c1-2-9-13-7-11(15-9)22(18,19)14-6-10-16-12(20-17-10)8-4-3-5-21-8/h3-5,7,14H,2,6H2,1H3,(H,13,15)
InChIKeyOXXDUXMTKMXNJQ-UHFFFAOYSA-N
XLogP1.56
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-5-sulfonamide with MolForge

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Related Compounds

2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide
CID 50964431
N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azepane-1-sulfonamide
CID 128953261
2-methoxy-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-sulfonamide
CID 166332045
2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid
CID 43631483
2-ethyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-5-sulfonamide
CID 122556777
N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 115303585
2-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-imidazole-5-sulfonamide
CID 107232013
N-[[4-(chloromethyl)phenyl]methyl]-2-ethyl-1H-imidazole-5-sulfonamide
CID 107234053
4-fluoro-N-[2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)ethyl]aniline
CID 1133765
(2R)-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methoxy]propanoic acid
CID 104875390
2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide
CID 114111971
N-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114298250

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-5-sulfonamide (CID 131931459) is 2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)NCc2noc(-c3cccs3)n2)[nH]1.
What is the InChIKey of 2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-5-sulfonamide?
The InChIKey is OXXDUXMTKMXNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3S2/c1-2-9-13-7-11(15-9)22(18,19)14-6-10-16-12(20-17-10)8-4-3-5-21-8/h3-5,7,14H,2,6H2,1H3,(H,13,15).
What are the key properties of 2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-5-sulfonamide?
2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-5-sulfonamide has a molecular weight of 339.40 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 131931459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).