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

C10H7IN2OS — CID 102943520

IUPAC5-(2,3-dihydro-1-benzofuran-2-yl)-3-iodo-1,2,4-thiadiazole
SMILESIc1nsc(C2Cc3ccccc3O2)n1
InChIInChI=1S/C10H7IN2OS/c11-10-12-9(15-13-10)8-5-6-3-1-2-4-7(6)14-8/h1-4,8H,5H2
InChIKeyDPWXHCQSNAXGFP-UHFFFAOYSA-N
MW330.15 g/mol
LogP2.82
Rot. Bonds1

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

5-(2,3-dihydro-1-benzofuran-2-yl)-3-iodo-1,2,4-thiadiazole (PubChem CID 102943520) has the molecular formula C10H7IN2OS and a molecular weight of 330.15 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-2-yl)-3-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-2-yl)-3-iodo-1,2,4-thiadiazole
PubChem CID102943520
Molecular FormulaC10H7IN2OS
Molecular Weight330.15 g/mol
Exact Mass329.93
IUPAC Name5-(2,3-dihydro-1-benzofuran-2-yl)-3-iodo-1,2,4-thiadiazole
SMILESIc1nsc(C2Cc3ccccc3O2)n1
InChIInChI=1S/C10H7IN2OS/c11-10-12-9(15-13-10)8-5-6-3-1-2-4-7(6)14-8/h1-4,8H,5H2
InChIKeyDPWXHCQSNAXGFP-UHFFFAOYSA-N
XLogP2.82
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(2,3-dihydro-1-benzofuran-2-yl)-3-iodo-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841205
2-(2,3-dihydro-1-benzofuran-2-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 174712271
N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365037
1-[2-(2,3-dihydro-1-benzofuran-2-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363489
N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841389
2-methyl-2,3-dihydro-1-benzofuran;hydrochloride
CID 140983033
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304767
3-(2,3-dihydro-1-benzofuran-2-yl)-5-ethyl-1H-1,2,4-triazole
CID 61278537
1-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862589
1-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61354306
1-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61351721
[5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62071795

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-2-yl)-3-iodo-1,2,4-thiadiazole?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-2-yl)-3-iodo-1,2,4-thiadiazole (CID 102943520) is 5-(2,3-dihydro-1-benzofuran-2-yl)-3-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-2-yl)-3-iodo-1,2,4-thiadiazole?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-2-yl)-3-iodo-1,2,4-thiadiazole is Ic1nsc(C2Cc3ccccc3O2)n1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-2-yl)-3-iodo-1,2,4-thiadiazole?
The InChIKey is DPWXHCQSNAXGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IN2OS/c11-10-12-9(15-13-10)8-5-6-3-1-2-4-7(6)14-8/h1-4,8H,5H2.
What are the key properties of 5-(2,3-dihydro-1-benzofuran-2-yl)-3-iodo-1,2,4-thiadiazole?
5-(2,3-dihydro-1-benzofuran-2-yl)-3-iodo-1,2,4-thiadiazole has a molecular weight of 330.15 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-2-yl)-3-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 102943520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).