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

C10H7IN2O2S — CID 63383797

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-iodo-1,3,4-thiadiazole
SMILESIc1nnc(C2COc3ccccc3O2)s1
InChIInChI=1S/C10H7IN2O2S/c11-10-13-12-9(16-10)8-5-14-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2
InChIKeyKCONLSPJNHQQIU-UHFFFAOYSA-N
MW346.15 g/mol
LogP2.66
Rot. Bonds1

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

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-iodo-1,3,4-thiadiazole (PubChem CID 63383797) has the molecular formula C10H7IN2O2S and a molecular weight of 346.15 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-iodo-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-iodo-1,3,4-thiadiazole
PubChem CID63383797
Molecular FormulaC10H7IN2O2S
Molecular Weight346.15 g/mol
Exact Mass345.93
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-iodo-1,3,4-thiadiazole
SMILESIc1nnc(C2COc3ccccc3O2)s1
InChIInChI=1S/C10H7IN2O2S/c11-10-13-12-9(16-10)8-5-14-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2
InChIKeyKCONLSPJNHQQIU-UHFFFAOYSA-N
XLogP2.66
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-iodo-1,3,4-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-1,4-benzodioxin-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 65352108
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422699
2,4-bis(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole;hydrochloride
CID 2836304
4-(chloromethyl)-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole
CID 65351203
N-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 65351880
2-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole
CID 114771029
3-(4-tert-butylphenyl)-6-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 7313621
6-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 43904029
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 65351619
N-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 65351521
3-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-6-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 7219641
potassium 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole-2-thiolate
CID 146020826

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-iodo-1,3,4-thiadiazole?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-iodo-1,3,4-thiadiazole (CID 63383797) is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-iodo-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-iodo-1,3,4-thiadiazole?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-iodo-1,3,4-thiadiazole is Ic1nnc(C2COc3ccccc3O2)s1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-iodo-1,3,4-thiadiazole?
The InChIKey is KCONLSPJNHQQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IN2O2S/c11-10-13-12-9(16-10)8-5-14-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-iodo-1,3,4-thiadiazole?
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-iodo-1,3,4-thiadiazole has a molecular weight of 346.15 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-iodo-1,3,4-thiadiazole is sourced from PubChem (CID 63383797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).