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

C10H14IN5S — CID 66749721

IUPAC5-iodo-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN1CCC(Nc2nn3c(I)cnc3s2)CC1
InChIInChI=1S/C10H14IN5S/c1-15-4-2-7(3-5-15)13-9-14-16-8(11)6-12-10(16)17-9/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyKJWUFQGAKTUEMU-UHFFFAOYSA-N
MW363.23 g/mol
LogP1.90
Rot. Bonds2

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

5-iodo-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 66749721) has the molecular formula C10H14IN5S and a molecular weight of 363.23 g/mol. Its IUPAC name is 5-iodo-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name5-iodo-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID66749721
Molecular FormulaC10H14IN5S
Molecular Weight363.23 g/mol
Exact Mass363.00
IUPAC Name5-iodo-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN1CCC(Nc2nn3c(I)cnc3s2)CC1
InChIInChI=1S/C10H14IN5S/c1-15-4-2-7(3-5-15)13-9-14-16-8(11)6-12-10(16)17-9/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyKJWUFQGAKTUEMU-UHFFFAOYSA-N
XLogP1.90
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 5-iodo-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 66749721) is 5-iodo-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 5-iodo-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 5-iodo-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CN1CCC(Nc2nn3c(I)cnc3s2)CC1.
What is the InChIKey of 5-iodo-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is KJWUFQGAKTUEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN5S/c1-15-4-2-7(3-5-15)13-9-14-16-8(11)6-12-10(16)17-9/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of 5-iodo-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
5-iodo-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 363.23 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 66749721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).