3-(1-benzofuran-3-yl)-5-iodo-1,2,4-thiadiazole

C10H5IN2OS — CID 102618702

IUPAC3-(1-benzofuran-3-yl)-5-iodo-1,2,4-thiadiazole
SMILESIc1nc(-c2coc3ccccc23)ns1
InChIInChI=1S/C10H5IN2OS/c11-10-12-9(13-15-10)7-5-14-8-4-2-1-3-6(7)8/h1-5H
InChIKeySLZZLCRFTDFICS-UHFFFAOYSA-N
MW328.13 g/mol
LogP3.56
Rot. Bonds1

About 3-(1-benzofuran-3-yl)-5-iodo-1,2,4-thiadiazole

3-(1-benzofuran-3-yl)-5-iodo-1,2,4-thiadiazole (PubChem CID 102618702) has the molecular formula C10H5IN2OS and a molecular weight of 328.13 g/mol. Its IUPAC name is 3-(1-benzofuran-3-yl)-5-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(1-benzofuran-3-yl)-5-iodo-1,2,4-thiadiazole
PubChem CID102618702
Molecular FormulaC10H5IN2OS
Molecular Weight328.13 g/mol
Exact Mass327.92
IUPAC Name3-(1-benzofuran-3-yl)-5-iodo-1,2,4-thiadiazole
SMILESIc1nc(-c2coc3ccccc23)ns1
InChIInChI=1S/C10H5IN2OS/c11-10-12-9(13-15-10)7-5-14-8-4-2-1-3-6(7)8/h1-5H
InChIKeySLZZLCRFTDFICS-UHFFFAOYSA-N
XLogP3.56
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.13
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(1-benzofuran-3-yl)-3-bromo-1,2,4-thiadiazole
CID 102943393
[2-(1-benzofuran-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83191632
3-(furan-3-yl)-5-iodo-1,2,4-thiadiazole
CID 102618370
3-(1-benzothiophen-3-yl)-1-benzofuran
CID 90722056
3-(4-methylphenyl)-1-benzofuran
CID 11160085
4-(1-benzofuran-3-yl)-2-(chloromethyl)-1,3-thiazole
CID 116867872
4-(1-benzofuran-3-yl)-6-methyl-1H-pyrimidine-2-thione
CID 116894725
2-(1-benzofuran-3-yl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one
CID 107384649
4-(1-benzofuran-3-yl)-5-methyl-1,3-thiazole-2-carbaldehyde
CID 116867313
1-(1-benzofuran-3-yl)naphthalen-2-amine
CID 134369746
3-[2-(10-naphtho[2,3-b][1]benzothiol-1-ylanthracen-9-yl)phenyl]-1-benzofuran
CID 170212343
5-(1-benzofuran-3-yl)-1,2-oxazole-3-carbonitrile
CID 116858958

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-3-yl)-5-iodo-1,2,4-thiadiazole?
The IUPAC name of 3-(1-benzofuran-3-yl)-5-iodo-1,2,4-thiadiazole (CID 102618702) is 3-(1-benzofuran-3-yl)-5-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 3-(1-benzofuran-3-yl)-5-iodo-1,2,4-thiadiazole?
The canonical SMILES for 3-(1-benzofuran-3-yl)-5-iodo-1,2,4-thiadiazole is Ic1nc(-c2coc3ccccc23)ns1.
What is the InChIKey of 3-(1-benzofuran-3-yl)-5-iodo-1,2,4-thiadiazole?
The InChIKey is SLZZLCRFTDFICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5IN2OS/c11-10-12-9(13-15-10)7-5-14-8-4-2-1-3-6(7)8/h1-5H.
What are the key properties of 3-(1-benzofuran-3-yl)-5-iodo-1,2,4-thiadiazole?
3-(1-benzofuran-3-yl)-5-iodo-1,2,4-thiadiazole has a molecular weight of 328.13 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-3-yl)-5-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 102618702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).