2-[(3-iodophenoxy)methyl]-5-methyl-1,3,4-thiadiazole

C10H9IN2OS — CID 164653697

IUPAC2-[(3-iodophenoxy)methyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(COc2cccc(I)c2)s1
InChIInChI=1S/C10H9IN2OS/c1-7-12-13-10(15-7)6-14-9-4-2-3-8(11)5-9/h2-5H,6H2,1H3
InChIKeyHSXUWZMKPCFOOP-UHFFFAOYSA-N
MW332.17 g/mol
LogP3.03
Rot. Bonds3

About 2-[(3-iodophenoxy)methyl]-5-methyl-1,3,4-thiadiazole

2-[(3-iodophenoxy)methyl]-5-methyl-1,3,4-thiadiazole (PubChem CID 164653697) has the molecular formula C10H9IN2OS and a molecular weight of 332.17 g/mol. Its IUPAC name is 2-[(3-iodophenoxy)methyl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(3-iodophenoxy)methyl]-5-methyl-1,3,4-thiadiazole
PubChem CID164653697
Molecular FormulaC10H9IN2OS
Molecular Weight332.17 g/mol
Exact Mass331.95
IUPAC Name2-[(3-iodophenoxy)methyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(COc2cccc(I)c2)s1
InChIInChI=1S/C10H9IN2OS/c1-7-12-13-10(15-7)6-14-9-4-2-3-8(11)5-9/h2-5H,6H2,1H3
InChIKeyHSXUWZMKPCFOOP-UHFFFAOYSA-N
XLogP3.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3-iodophenoxy)methyl]-5-methyl-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

5-[(3-iodophenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 80608771
2-[(3-iodophenoxy)methyl]-1,3-benzothiazole
CID 113218110
3-methyl-7-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]chromen-2-one
CID 15066886
N-methyl-2-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 112519497
O-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl] benzenecarbothioate
CID 121223002
5-[(3-iodophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774869
4-methyl-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 858227
2-iodo-5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazole
CID 63383570
4-[(3-iodophenoxy)methyl]aniline
CID 43144814
methyl N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]carbamate
CID 2201221
(E)-1-(furan-2-yl)-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]methanimine
CID 139221902
[5-[(3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613704

Frequently Asked Questions

What is the IUPAC name of 2-[(3-iodophenoxy)methyl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[(3-iodophenoxy)methyl]-5-methyl-1,3,4-thiadiazole (CID 164653697) is 2-[(3-iodophenoxy)methyl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(3-iodophenoxy)methyl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(3-iodophenoxy)methyl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(COc2cccc(I)c2)s1.
What is the InChIKey of 2-[(3-iodophenoxy)methyl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is HSXUWZMKPCFOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2OS/c1-7-12-13-10(15-7)6-14-9-4-2-3-8(11)5-9/h2-5H,6H2,1H3.
What are the key properties of 2-[(3-iodophenoxy)methyl]-5-methyl-1,3,4-thiadiazole?
2-[(3-iodophenoxy)methyl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 332.17 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-iodophenoxy)methyl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 164653697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).