5-iodo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole

C11H17IN2OS — CID 102618568

IUPAC5-iodo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole
SMILESCOC1(c2nsc(I)n2)CCC(C)(C)CC1
InChIInChI=1S/C11H17IN2OS/c1-10(2)4-6-11(15-3,7-5-10)8-13-9(12)16-14-8/h4-7H2,1-3H3
InChIKeyOHUIDXFNJGBVMV-UHFFFAOYSA-N
MW352.24 g/mol
LogP3.58
Rot. Bonds2

About 5-iodo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole

5-iodo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole (PubChem CID 102618568) has the molecular formula C11H17IN2OS and a molecular weight of 352.24 g/mol. Its IUPAC name is 5-iodo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-iodo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole
PubChem CID102618568
Molecular FormulaC11H17IN2OS
Molecular Weight352.24 g/mol
Exact Mass352.01
IUPAC Name5-iodo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole
SMILESCOC1(c2nsc(I)n2)CCC(C)(C)CC1
InChIInChI=1S/C11H17IN2OS/c1-10(2)4-6-11(15-3,7-5-10)8-13-9(12)16-14-8/h4-7H2,1-3H3
InChIKeyOHUIDXFNJGBVMV-UHFFFAOYSA-N
XLogP3.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 53.58
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

5-Bromo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole
CID 102617885
5-Bromo-3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-thiadiazole
CID 102617889
5-Bromo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole
CID 102618116
5-Bromo-3-(1-ethoxycyclohexyl)-1,2,4-thiadiazole
CID 102618227
5-Bromo-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole
CID 102618275
5-Bromo-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-thiadiazole
CID 102618287
5-Iodo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole
CID 102618348
3-(1-Ethoxy-4-methylcyclohexyl)-5-iodo-1,2,4-thiadiazole
CID 102618351
3-[Cyclohexyl(ethoxy)methyl]-5-iodo-1,2,4-thiadiazole
CID 102618409
5-Iodo-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-thiadiazole
CID 102618452
5-Iodo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole
CID 102618506
3-[Cyclohexyl(methoxy)methyl]-5-iodo-1,2,4-thiadiazole
CID 102618569

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole?
The IUPAC name of 5-iodo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole (CID 102618568) is 5-iodo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-iodo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-iodo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole is COC1(c2nsc(I)n2)CCC(C)(C)CC1.
What is the InChIKey of 5-iodo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole?
The InChIKey is OHUIDXFNJGBVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN2OS/c1-10(2)4-6-11(15-3,7-5-10)8-13-9(12)16-14-8/h4-7H2,1-3H3.
What are the key properties of 5-iodo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole?
5-iodo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole has a molecular weight of 352.24 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).