N-cycloheptyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

C13H20N4O2S2 — CID 53151772

IUPACN-cycloheptyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCc1nn2c(S(=O)(=O)NC3CCCCCC3)c(C)nc2s1
InChIInChI=1S/C13H20N4O2S2/c1-9-12(17-13(14-9)20-10(2)15-17)21(18,19)16-11-7-5-3-4-6-8-11/h11,16H,3-8H2,1-2H3
InChIKeyRANRGVWWEISOBM-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.41
Rot. Bonds3

About N-cycloheptyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

N-cycloheptyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (PubChem CID 53151772) has the molecular formula C13H20N4O2S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-cycloheptyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
PubChem CID53151772
Molecular FormulaC13H20N4O2S2
Molecular Weight328.46 g/mol
Exact Mass328.10
IUPAC NameN-cycloheptyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCc1nn2c(S(=O)(=O)NC3CCCCCC3)c(C)nc2s1
InChIInChI=1S/C13H20N4O2S2/c1-9-12(17-13(14-9)20-10(2)15-17)21(18,19)16-11-7-5-3-4-6-8-11/h11,16H,3-8H2,1-2H3
InChIKeyRANRGVWWEISOBM-UHFFFAOYSA-N
XLogP2.41
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The IUPAC name of N-cycloheptyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (CID 53151772) is N-cycloheptyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.
What is the SMILES notation for N-cycloheptyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The canonical SMILES for N-cycloheptyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is Cc1nn2c(S(=O)(=O)NC3CCCCCC3)c(C)nc2s1.
What is the InChIKey of N-cycloheptyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The InChIKey is RANRGVWWEISOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S2/c1-9-12(17-13(14-9)20-10(2)15-17)21(18,19)16-11-7-5-3-4-6-8-11/h11,16H,3-8H2,1-2H3.
What are the key properties of N-cycloheptyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
N-cycloheptyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide has a molecular weight of 328.46 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is sourced from PubChem (CID 53151772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).