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

C10H14IN5O2S2 — CID 66749709

IUPAC6-iodo-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCS(=O)(=O)N1CCC(Nc2nn3cc(I)nc3s2)CC1
InChIInChI=1S/C10H14IN5O2S2/c1-20(17,18)15-4-2-7(3-5-15)12-9-14-16-6-8(11)13-10(16)19-9/h6-7H,2-5H2,1H3,(H,12,14)
InChIKeyPNJXENRGMFDFDR-UHFFFAOYSA-N
MW427.29 g/mol
LogP1.23
Rot. Bonds3

About 6-iodo-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-iodo-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 66749709) has the molecular formula C10H14IN5O2S2 and a molecular weight of 427.29 g/mol. Its IUPAC name is 6-iodo-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-iodo-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID66749709
Molecular FormulaC10H14IN5O2S2
Molecular Weight427.29 g/mol
Exact Mass426.96
IUPAC Name6-iodo-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCS(=O)(=O)N1CCC(Nc2nn3cc(I)nc3s2)CC1
InChIInChI=1S/C10H14IN5O2S2/c1-20(17,18)15-4-2-7(3-5-15)12-9-14-16-6-8(11)13-10(16)19-9/h6-7H,2-5H2,1H3,(H,12,14)
InChIKeyPNJXENRGMFDFDR-UHFFFAOYSA-N
XLogP1.23
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
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 6-iodo-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-iodo-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 66749709) is 6-iodo-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-iodo-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-iodo-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CS(=O)(=O)N1CCC(Nc2nn3cc(I)nc3s2)CC1.
What is the InChIKey of 6-iodo-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is PNJXENRGMFDFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN5O2S2/c1-20(17,18)15-4-2-7(3-5-15)12-9-14-16-6-8(11)13-10(16)19-9/h6-7H,2-5H2,1H3,(H,12,14).
What are the key properties of 6-iodo-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-iodo-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 427.29 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 66749709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).