5-iodo-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C11H16IN5O2S2 — CID 66748226

IUPAC5-iodo-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(c1nn2c(I)cnc2s1)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H16IN5O2S2/c1-15(8-3-5-16(6-4-8)21(2,18)19)11-14-17-9(12)7-13-10(17)20-11/h7-8H,3-6H2,1-2H3
InChIKeyWYFJIJQKIBZVFN-UHFFFAOYSA-N
MW441.32 g/mol
LogP1.26
Rot. Bonds3

About 5-iodo-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

5-iodo-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 66748226) has the molecular formula C11H16IN5O2S2 and a molecular weight of 441.32 g/mol. Its IUPAC name is 5-iodo-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name5-iodo-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID66748226
Molecular FormulaC11H16IN5O2S2
Molecular Weight441.32 g/mol
Exact Mass440.98
IUPAC Name5-iodo-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(c1nn2c(I)cnc2s1)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H16IN5O2S2/c1-15(8-3-5-16(6-4-8)21(2,18)19)11-14-17-9(12)7-13-10(17)20-11/h7-8H,3-6H2,1-2H3
InChIKeyWYFJIJQKIBZVFN-UHFFFAOYSA-N
XLogP1.26
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.32
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 5-iodo-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 66748226) is 5-iodo-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 5-iodo-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 5-iodo-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CN(c1nn2c(I)cnc2s1)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 5-iodo-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is WYFJIJQKIBZVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN5O2S2/c1-15(8-3-5-16(6-4-8)21(2,18)19)11-14-17-9(12)7-13-10(17)20-11/h7-8H,3-6H2,1-2H3.
What are the key properties of 5-iodo-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
5-iodo-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 441.32 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 66748226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).