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

C10H7IN2S2 — CID 79212094

IUPAC2-(2,3-dihydro-1-benzothiophen-3-yl)-5-iodo-1,3,4-thiadiazole
SMILESIc1nnc(C2CSc3ccccc32)s1
InChIInChI=1S/C10H7IN2S2/c11-10-13-12-9(15-10)7-5-14-8-4-2-1-3-6(7)8/h1-4,7H,5H2
InChIKeyHRHPFHLYOILSIS-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.38
Rot. Bonds1

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

2-(2,3-dihydro-1-benzothiophen-3-yl)-5-iodo-1,3,4-thiadiazole (PubChem CID 79212094) has the molecular formula C10H7IN2S2 and a molecular weight of 346.22 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-3-yl)-5-iodo-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-3-yl)-5-iodo-1,3,4-thiadiazole
PubChem CID79212094
Molecular FormulaC10H7IN2S2
Molecular Weight346.22 g/mol
Exact Mass345.91
IUPAC Name2-(2,3-dihydro-1-benzothiophen-3-yl)-5-iodo-1,3,4-thiadiazole
SMILESIc1nnc(C2CSc3ccccc32)s1
InChIInChI=1S/C10H7IN2S2/c11-10-13-12-9(15-10)7-5-14-8-4-2-1-3-6(7)8/h1-4,7H,5H2
InChIKeyHRHPFHLYOILSIS-UHFFFAOYSA-N
XLogP3.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.38
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

3-[5-(2,3-dihydro-1-benzothiophen-3-yl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 79211742
5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-amine
CID 79214157
2-[5-(2,3-dihydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 79213260
1-[5-(2,3-dihydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 79213402
2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611
2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 54594261
3-cyclopropyl-5-(2,3-dihydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole
CID 79214143
3-(2,3-dihydro-1-benzothiophen-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 79213852
3-prop-1-en-2-yl-2,3-dihydro-1-benzothiophene
CID 89250022
3-[(2-iodophenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79220634
5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 79211746
2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821390

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-yl)-5-iodo-1,3,4-thiadiazole?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-yl)-5-iodo-1,3,4-thiadiazole (CID 79212094) is 2-(2,3-dihydro-1-benzothiophen-3-yl)-5-iodo-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-3-yl)-5-iodo-1,3,4-thiadiazole?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-3-yl)-5-iodo-1,3,4-thiadiazole is Ic1nnc(C2CSc3ccccc32)s1.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-3-yl)-5-iodo-1,3,4-thiadiazole?
The InChIKey is HRHPFHLYOILSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IN2S2/c11-10-13-12-9(15-10)7-5-14-8-4-2-1-3-6(7)8/h1-4,7H,5H2.
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-3-yl)-5-iodo-1,3,4-thiadiazole?
2-(2,3-dihydro-1-benzothiophen-3-yl)-5-iodo-1,3,4-thiadiazole has a molecular weight of 346.22 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-3-yl)-5-iodo-1,3,4-thiadiazole is sourced from PubChem (CID 79212094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).