2-iodo-5-thiophen-3-yl-1,3,4-thiadiazole

C6H3IN2S2 — CID 63383787

IUPAC2-iodo-5-thiophen-3-yl-1,3,4-thiadiazole
SMILESIc1nnc(-c2ccsc2)s1
InChIInChI=1S/C6H3IN2S2/c7-6-9-8-5(11-6)4-1-2-10-3-4/h1-3H
InChIKeyHRSPEEYLHNPIRK-UHFFFAOYSA-N
MW294.14 g/mol
LogP2.87
Rot. Bonds1

About 2-iodo-5-thiophen-3-yl-1,3,4-thiadiazole

2-iodo-5-thiophen-3-yl-1,3,4-thiadiazole (PubChem CID 63383787) has the molecular formula C6H3IN2S2 and a molecular weight of 294.14 g/mol. Its IUPAC name is 2-iodo-5-thiophen-3-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-iodo-5-thiophen-3-yl-1,3,4-thiadiazole
PubChem CID63383787
Molecular FormulaC6H3IN2S2
Molecular Weight294.14 g/mol
Exact Mass293.88
IUPAC Name2-iodo-5-thiophen-3-yl-1,3,4-thiadiazole
SMILESIc1nnc(-c2ccsc2)s1
InChIInChI=1S/C6H3IN2S2/c7-6-9-8-5(11-6)4-1-2-10-3-4/h1-3H
InChIKeyHRSPEEYLHNPIRK-UHFFFAOYSA-N
XLogP2.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-thiophen-3-yl-1,3,4-thiadiazole?
The IUPAC name of 2-iodo-5-thiophen-3-yl-1,3,4-thiadiazole (CID 63383787) is 2-iodo-5-thiophen-3-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-iodo-5-thiophen-3-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-iodo-5-thiophen-3-yl-1,3,4-thiadiazole is Ic1nnc(-c2ccsc2)s1.
What is the InChIKey of 2-iodo-5-thiophen-3-yl-1,3,4-thiadiazole?
The InChIKey is HRSPEEYLHNPIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3IN2S2/c7-6-9-8-5(11-6)4-1-2-10-3-4/h1-3H.
What are the key properties of 2-iodo-5-thiophen-3-yl-1,3,4-thiadiazole?
2-iodo-5-thiophen-3-yl-1,3,4-thiadiazole has a molecular weight of 294.14 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-thiophen-3-yl-1,3,4-thiadiazole is sourced from PubChem (CID 63383787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).