N-cyclohexyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

C13H20N4O2S2 — CID 53151916

IUPACN-cyclohexyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCc1nn2c(S(=O)(=O)NC3CCCCC3)c(C)nc2s1
InChIInChI=1S/C13H20N4O2S2/c1-3-11-15-17-12(9(2)14-13(17)20-11)21(18,19)16-10-7-5-4-6-8-10/h10,16H,3-8H2,1-2H3
InChIKeyGXEGBNHEBSQCRS-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.27
Rot. Bonds4

About N-cyclohexyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

N-cyclohexyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (PubChem CID 53151916) has the molecular formula C13H20N4O2S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-cyclohexyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
PubChem CID53151916
Molecular FormulaC13H20N4O2S2
Molecular Weight328.46 g/mol
Exact Mass328.10
IUPAC NameN-cyclohexyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCc1nn2c(S(=O)(=O)NC3CCCCC3)c(C)nc2s1
InChIInChI=1S/C13H20N4O2S2/c1-3-11-15-17-12(9(2)14-13(17)20-11)21(18,19)16-10-7-5-4-6-8-10/h10,16H,3-8H2,1-2H3
InChIKeyGXEGBNHEBSQCRS-UHFFFAOYSA-N
XLogP2.27
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The IUPAC name of N-cyclohexyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (CID 53151916) is N-cyclohexyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.
What is the SMILES notation for N-cyclohexyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The canonical SMILES for N-cyclohexyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is CCc1nn2c(S(=O)(=O)NC3CCCCC3)c(C)nc2s1.
What is the InChIKey of N-cyclohexyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The InChIKey is GXEGBNHEBSQCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S2/c1-3-11-15-17-12(9(2)14-13(17)20-11)21(18,19)16-10-7-5-4-6-8-10/h10,16H,3-8H2,1-2H3.
What are the key properties of N-cyclohexyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
N-cyclohexyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide has a molecular weight of 328.46 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is sourced from PubChem (CID 53151916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).