2-ethyl-N-(furan-2-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

C12H14N4O3S2 — CID 53151925

IUPAC2-ethyl-N-(furan-2-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCc1nn2c(S(=O)(=O)NCc3ccco3)c(C)nc2s1
InChIInChI=1S/C12H14N4O3S2/c1-3-10-15-16-11(8(2)14-12(16)20-10)21(17,18)13-7-9-5-4-6-19-9/h4-6,13H,3,7H2,1-2H3
InChIKeySOTKAVVAUXHCMJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.73
Rot. Bonds5

About 2-ethyl-N-(furan-2-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

2-ethyl-N-(furan-2-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (PubChem CID 53151925) has the molecular formula C12H14N4O3S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-ethyl-N-(furan-2-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-(furan-2-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
PubChem CID53151925
Molecular FormulaC12H14N4O3S2
Molecular Weight326.40 g/mol
Exact Mass326.05
IUPAC Name2-ethyl-N-(furan-2-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCc1nn2c(S(=O)(=O)NCc3ccco3)c(C)nc2s1
InChIInChI=1S/C12H14N4O3S2/c1-3-10-15-16-11(8(2)14-12(16)20-10)21(17,18)13-7-9-5-4-6-19-9/h4-6,13H,3,7H2,1-2H3
InChIKeySOTKAVVAUXHCMJ-UHFFFAOYSA-N
XLogP1.73
TPSA89.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151972
2-ethyl-N-(3-fluoro-4-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151957
N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 17375842
N-(3-chloro-4-methoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151960
N-[(4-bromophenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151899
N-(furan-2-ylmethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 91811051
N-[(4-ethoxyphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151894
1-benzyl-N-(furan-2-ylmethyl)-3-methylpyrazole-4-sulfonamide
CID 42282996
1-ethyl-4-(furan-2-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644210
ethyl 5-(furan-2-ylmethylsulfamoyl)-1H-pyrazole-3-carboxylate
CID 22579173
N-(furan-2-ylmethyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349802
2-amino-N-(furan-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 91812357

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(furan-2-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The IUPAC name of 2-ethyl-N-(furan-2-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (CID 53151925) is 2-ethyl-N-(furan-2-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-N-(furan-2-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-N-(furan-2-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is CCc1nn2c(S(=O)(=O)NCc3ccco3)c(C)nc2s1.
What is the InChIKey of 2-ethyl-N-(furan-2-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The InChIKey is SOTKAVVAUXHCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S2/c1-3-10-15-16-11(8(2)14-12(16)20-10)21(17,18)13-7-9-5-4-6-19-9/h4-6,13H,3,7H2,1-2H3.
What are the key properties of 2-ethyl-N-(furan-2-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
2-ethyl-N-(furan-2-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide has a molecular weight of 326.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(furan-2-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is sourced from PubChem (CID 53151925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).