N-ethyl-2-(ethylamino)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

C8H13N5O2S2 — CID 67335526

IUPACN-ethyl-2-(ethylamino)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCNc1nn2c(S(=O)(=O)NCC)cnc2s1
InChIInChI=1S/C8H13N5O2S2/c1-3-9-7-12-13-6(5-10-8(13)16-7)17(14,15)11-4-2/h5,11H,3-4H2,1-2H3,(H,9,12)
InChIKeyCVFQBICVTJEPDF-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.52
Rot. Bonds5

About N-ethyl-2-(ethylamino)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

N-ethyl-2-(ethylamino)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (PubChem CID 67335526) has the molecular formula C8H13N5O2S2 and a molecular weight of 275.36 g/mol. Its IUPAC name is N-ethyl-2-(ethylamino)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-2-(ethylamino)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
PubChem CID67335526
Molecular FormulaC8H13N5O2S2
Molecular Weight275.36 g/mol
Exact Mass275.05
IUPAC NameN-ethyl-2-(ethylamino)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCNc1nn2c(S(=O)(=O)NCC)cnc2s1
InChIInChI=1S/C8H13N5O2S2/c1-3-9-7-12-13-6(5-10-8(13)16-7)17(14,15)11-4-2/h5,11H,3-4H2,1-2H3,(H,9,12)
InChIKeyCVFQBICVTJEPDF-UHFFFAOYSA-N
XLogP0.52
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(ethylamino)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The IUPAC name of N-ethyl-2-(ethylamino)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (CID 67335526) is N-ethyl-2-(ethylamino)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.
What is the SMILES notation for N-ethyl-2-(ethylamino)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The canonical SMILES for N-ethyl-2-(ethylamino)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is CCNc1nn2c(S(=O)(=O)NCC)cnc2s1.
What is the InChIKey of N-ethyl-2-(ethylamino)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The InChIKey is CVFQBICVTJEPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2S2/c1-3-9-7-12-13-6(5-10-8(13)16-7)17(14,15)11-4-2/h5,11H,3-4H2,1-2H3,(H,9,12).
What are the key properties of N-ethyl-2-(ethylamino)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
N-ethyl-2-(ethylamino)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide has a molecular weight of 275.36 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(ethylamino)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is sourced from PubChem (CID 67335526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).