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

C8H7IN2OS — CID 126993668

IUPAC2-(3-iodo-4-methylthiophen-2-yl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2scc(C)c2I)o1
InChIInChI=1S/C8H7IN2OS/c1-4-3-13-7(6(4)9)8-11-10-5(2)12-8/h3H,1-2H3
InChIKeyALQGFSZWALKWJL-UHFFFAOYSA-N
MW306.13 g/mol
LogP3.02
Rot. Bonds1

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

2-(3-iodo-4-methylthiophen-2-yl)-5-methyl-1,3,4-oxadiazole (PubChem CID 126993668) has the molecular formula C8H7IN2OS and a molecular weight of 306.13 g/mol. Its IUPAC name is 2-(3-iodo-4-methylthiophen-2-yl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-iodo-4-methylthiophen-2-yl)-5-methyl-1,3,4-oxadiazole
PubChem CID126993668
Molecular FormulaC8H7IN2OS
Molecular Weight306.13 g/mol
Exact Mass305.93
IUPAC Name2-(3-iodo-4-methylthiophen-2-yl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2scc(C)c2I)o1
InChIInChI=1S/C8H7IN2OS/c1-4-3-13-7(6(4)9)8-11-10-5(2)12-8/h3H,1-2H3
InChIKeyALQGFSZWALKWJL-UHFFFAOYSA-N
XLogP3.02
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.13
LogP ≤ 53.02
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-(3-iodo-4-methylthiophen-2-yl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-iodo-4-methylthiophen-2-yl)-5-methyl-1,3,4-oxadiazole (CID 126993668) is 2-(3-iodo-4-methylthiophen-2-yl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-iodo-4-methylthiophen-2-yl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-iodo-4-methylthiophen-2-yl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2scc(C)c2I)o1.
What is the InChIKey of 2-(3-iodo-4-methylthiophen-2-yl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is ALQGFSZWALKWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2OS/c1-4-3-13-7(6(4)9)8-11-10-5(2)12-8/h3H,1-2H3.
What are the key properties of 2-(3-iodo-4-methylthiophen-2-yl)-5-methyl-1,3,4-oxadiazole?
2-(3-iodo-4-methylthiophen-2-yl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 306.13 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodo-4-methylthiophen-2-yl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 126993668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).