2-iodo-5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazole

C11H11IN2OS — CID 63383570

IUPAC2-iodo-5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazole
SMILESCc1cccc(OCCc2nnc(I)s2)c1
InChIInChI=1S/C11H11IN2OS/c1-8-3-2-4-9(7-8)15-6-5-10-13-14-11(12)16-10/h2-4,7H,5-6H2,1H3
InChIKeyIZVFKHSRSFHCDJ-UHFFFAOYSA-N
MW346.19 g/mol
LogP3.07
Rot. Bonds4

About 2-iodo-5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazole

2-iodo-5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazole (PubChem CID 63383570) has the molecular formula C11H11IN2OS and a molecular weight of 346.19 g/mol. Its IUPAC name is 2-iodo-5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-iodo-5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazole
PubChem CID63383570
Molecular FormulaC11H11IN2OS
Molecular Weight346.19 g/mol
Exact Mass345.96
IUPAC Name2-iodo-5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazole
SMILESCc1cccc(OCCc2nnc(I)s2)c1
InChIInChI=1S/C11H11IN2OS/c1-8-3-2-4-9(7-8)15-6-5-10-13-14-11(12)16-10/h2-4,7H,5-6H2,1H3
InChIKeyIZVFKHSRSFHCDJ-UHFFFAOYSA-N
XLogP3.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 53.07
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

2,2-dimethyl-N-[5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 71946193
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
N-methyl-2-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 112519497
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
[4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
CID 82429739
4-[2-(3-methylphenoxy)ethyl]pyridine
CID 64765282
1-(3-iodopropoxy)-3-methylbenzene
CID 64788353
1-[4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanamine
CID 82429743
2-[2-[2-(3-methylphenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile
CID 82434784
4-(chloromethyl)-2-[3-(3-methylphenoxy)propyl]-1,3-thiazole
CID 43320168
2-[2-[2-(3-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile
CID 82432489
N-[5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-pyrazol-1-ylbutanamide
CID 50954661

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazole?
The IUPAC name of 2-iodo-5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazole (CID 63383570) is 2-iodo-5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-iodo-5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-iodo-5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazole is Cc1cccc(OCCc2nnc(I)s2)c1.
What is the InChIKey of 2-iodo-5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazole?
The InChIKey is IZVFKHSRSFHCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2OS/c1-8-3-2-4-9(7-8)15-6-5-10-13-14-11(12)16-10/h2-4,7H,5-6H2,1H3.
What are the key properties of 2-iodo-5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazole?
2-iodo-5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazole has a molecular weight of 346.19 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazole is sourced from PubChem (CID 63383570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).