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

C7H5IN2S2 — CID 63383792

IUPAC2-iodo-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole
SMILESCc1ccc(-c2nnc(I)s2)s1
InChIInChI=1S/C7H5IN2S2/c1-4-2-3-5(11-4)6-9-10-7(8)12-6/h2-3H,1H3
InChIKeySXTZMIJFLLRLMS-UHFFFAOYSA-N
MW308.17 g/mol
LogP3.18
Rot. Bonds1

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

2-iodo-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole (PubChem CID 63383792) has the molecular formula C7H5IN2S2 and a molecular weight of 308.17 g/mol. Its IUPAC name is 2-iodo-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-iodo-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole
PubChem CID63383792
Molecular FormulaC7H5IN2S2
Molecular Weight308.17 g/mol
Exact Mass307.89
IUPAC Name2-iodo-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole
SMILESCc1ccc(-c2nnc(I)s2)s1
InChIInChI=1S/C7H5IN2S2/c1-4-2-3-5(11-4)6-9-10-7(8)12-6/h2-3H,1H3
InChIKeySXTZMIJFLLRLMS-UHFFFAOYSA-N
XLogP3.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.18
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-(5-methylthiophen-2-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-iodo-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole (CID 63383792) is 2-iodo-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-iodo-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-iodo-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole is Cc1ccc(-c2nnc(I)s2)s1.
What is the InChIKey of 2-iodo-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole?
The InChIKey is SXTZMIJFLLRLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN2S2/c1-4-2-3-5(11-4)6-9-10-7(8)12-6/h2-3H,1H3.
What are the key properties of 2-iodo-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole?
2-iodo-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole has a molecular weight of 308.17 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 63383792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).