4-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine

C8H9IN4OS — CID 66748172

IUPAC4-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine
SMILESIc1cn2nc(N3CCOCC3)sc2n1
InChIInChI=1S/C8H9IN4OS/c9-6-5-13-7(10-6)15-8(11-13)12-1-3-14-4-2-12/h5H,1-4H2
InChIKeyIUZMZMJQMAIMDV-UHFFFAOYSA-N
MW336.16 g/mol
LogP1.23
Rot. Bonds1

About 4-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine

4-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine (PubChem CID 66748172) has the molecular formula C8H9IN4OS and a molecular weight of 336.16 g/mol. Its IUPAC name is 4-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine
PubChem CID66748172
Molecular FormulaC8H9IN4OS
Molecular Weight336.16 g/mol
Exact Mass335.95
IUPAC Name4-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine
SMILESIc1cn2nc(N3CCOCC3)sc2n1
InChIInChI=1S/C8H9IN4OS/c9-6-5-13-7(10-6)15-8(11-13)12-1-3-14-4-2-12/h5H,1-4H2
InChIKeyIUZMZMJQMAIMDV-UHFFFAOYSA-N
XLogP1.23
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-one
CID 66749996
4-[6-(1H-indazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]morpholine
CID 66749609
1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 20906896
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 20906813
2,6-dimorpholin-4-yl-1,3,5-thiadiazin-4-one
CID 15063236
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 20906799
4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
CID 154487330
2-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]phenol
CID 35417098
6-tert-butyl-2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 133391235
[1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55545351
2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 94210798
N-methyl-N-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide
CID 48736168

Frequently Asked Questions

What is the IUPAC name of 4-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine?
The IUPAC name of 4-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine (CID 66748172) is 4-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine.
What is the SMILES notation for 4-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine?
The canonical SMILES for 4-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine is Ic1cn2nc(N3CCOCC3)sc2n1.
What is the InChIKey of 4-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine?
The InChIKey is IUZMZMJQMAIMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN4OS/c9-6-5-13-7(10-6)15-8(11-13)12-1-3-14-4-2-12/h5H,1-4H2.
What are the key properties of 4-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine?
4-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine has a molecular weight of 336.16 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine is sourced from PubChem (CID 66748172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).