5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-(trifluoromethyl)pyridin-2-amine

C10H5F3IN5S — CID 66716935

IUPAC5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2nn3cc(I)nc3s2)cc1C(F)(F)F
InChIInChI=1S/C10H5F3IN5S/c11-10(12,13)5-1-4(2-16-7(5)15)8-18-19-3-6(14)17-9(19)20-8/h1-3H,(H2,15,16)
InChIKeyXHFZQIXTJFXKEE-UHFFFAOYSA-N
MW411.15 g/mol
LogP3.06
Rot. Bonds1

About 5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-(trifluoromethyl)pyridin-2-amine

5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 66716935) has the molecular formula C10H5F3IN5S and a molecular weight of 411.15 g/mol. Its IUPAC name is 5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID66716935
Molecular FormulaC10H5F3IN5S
Molecular Weight411.15 g/mol
Exact Mass410.93
IUPAC Name5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2nn3cc(I)nc3s2)cc1C(F)(F)F
InChIInChI=1S/C10H5F3IN5S/c11-10(12,13)5-1-4(2-16-7(5)15)8-18-19-3-6(14)17-9(19)20-8/h1-3H,(H2,15,16)
InChIKeyXHFZQIXTJFXKEE-UHFFFAOYSA-N
XLogP3.06
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.15
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxypyridin-3-amine
CID 66690598
5-[2-(1-ethylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 66716893
6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 66748751
5-[5-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 46941214
5-[2-(3-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 66717262
tert-butyl N-[3-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]propyl]carbamate
CID 66749514
5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 141277293
N-[1-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]methanesulfonamide
CID 66748618
3-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-N,N-dimethylaniline
CID 66717116
1-[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1,3-diazinan-2-one
CID 66748686
3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 119002862
4-[[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]-N-ethylpiperidine-1-carboxamide
CID 66749413

Frequently Asked Questions

What is the IUPAC name of 5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-(trifluoromethyl)pyridin-2-amine (CID 66716935) is 5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-(trifluoromethyl)pyridin-2-amine is Nc1ncc(-c2nn3cc(I)nc3s2)cc1C(F)(F)F.
What is the InChIKey of 5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is XHFZQIXTJFXKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3IN5S/c11-10(12,13)5-1-4(2-16-7(5)15)8-18-19-3-6(14)17-9(19)20-8/h1-3H,(H2,15,16).
What are the key properties of 5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-(trifluoromethyl)pyridin-2-amine?
5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 411.15 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 66716935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).