2-(1-ethylpyrazol-4-yl)-5-iodoimidazo[2,1-b][1,3,4]thiadiazole

C9H8IN5S — CID 66716941

IUPAC2-(1-ethylpyrazol-4-yl)-5-iodoimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCn1cc(-c2nn3c(I)cnc3s2)cn1
InChIInChI=1S/C9H8IN5S/c1-2-14-5-6(3-12-14)8-13-15-7(10)4-11-9(15)16-8/h3-5H,2H2,1H3
InChIKeyXYENNOOASGKRJJ-UHFFFAOYSA-N
MW345.17 g/mol
LogP2.28
Rot. Bonds2

About 2-(1-ethylpyrazol-4-yl)-5-iodoimidazo[2,1-b][1,3,4]thiadiazole

2-(1-ethylpyrazol-4-yl)-5-iodoimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 66716941) has the molecular formula C9H8IN5S and a molecular weight of 345.17 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-5-iodoimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-5-iodoimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID66716941
Molecular FormulaC9H8IN5S
Molecular Weight345.17 g/mol
Exact Mass344.95
IUPAC Name2-(1-ethylpyrazol-4-yl)-5-iodoimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCn1cc(-c2nn3c(I)cnc3s2)cn1
InChIInChI=1S/C9H8IN5S/c1-2-14-5-6(3-12-14)8-13-15-7(10)4-11-9(15)16-8/h3-5H,2H2,1H3
InChIKeyXYENNOOASGKRJJ-UHFFFAOYSA-N
XLogP2.28
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.17
LogP ≤ 52.28
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

5-[2-(1-ethylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 66716893
3-(4-chlorophenyl)-6-(1-ethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 51043559
5-(1-ethylpyrazol-4-yl)-1,3,4-thiadiazol-2-amine
CID 64985311
methyl 2-(1-ethylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 103570067
4-ethyl-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-5-carboxylic acid
CID 103570070
4-(1-ethylpyrazol-4-yl)-1,3-thiazol-5-amine
CID 103570447
2-(1-ethylpyrazol-4-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 103570071
2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carbaldehyde
CID 103570317
5-(1-ethylpyrazol-4-yl)-2-methylpyridine
CID 58399288
[3-(1-ethylpyrazol-4-yl)pyrazin-2-yl]hydrazine
CID 103571128
3-[(4-chlorophenyl)methyl]-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 51052874
4-(1-ethylpyrazol-4-yl)-2,6-dimethylpyridine
CID 121279540

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-5-iodoimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-5-iodoimidazo[2,1-b][1,3,4]thiadiazole (CID 66716941) is 2-(1-ethylpyrazol-4-yl)-5-iodoimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-5-iodoimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-5-iodoimidazo[2,1-b][1,3,4]thiadiazole is CCn1cc(-c2nn3c(I)cnc3s2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-5-iodoimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is XYENNOOASGKRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8IN5S/c1-2-14-5-6(3-12-14)8-13-15-7(10)4-11-9(15)16-8/h3-5H,2H2,1H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-5-iodoimidazo[2,1-b][1,3,4]thiadiazole?
2-(1-ethylpyrazol-4-yl)-5-iodoimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 345.17 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-5-iodoimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 66716941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).