5-iodo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole

C9H13IN2OS — CID 102618348

IUPAC5-iodo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole
SMILESCOC1(c2nsc(I)n2)CCCCC1
InChIInChI=1S/C9H13IN2OS/c1-13-9(5-3-2-4-6-9)7-11-8(10)14-12-7/h2-6H2,1H3
InChIKeyZAKXVNRVPCICHL-UHFFFAOYSA-N
MW324.19 g/mol
LogP2.95
Rot. Bonds2

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

5-iodo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole (PubChem CID 102618348) has the molecular formula C9H13IN2OS and a molecular weight of 324.19 g/mol. Its IUPAC name is 5-iodo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-iodo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole
PubChem CID102618348
Molecular FormulaC9H13IN2OS
Molecular Weight324.19 g/mol
Exact Mass323.98
IUPAC Name5-iodo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole
SMILESCOC1(c2nsc(I)n2)CCCCC1
InChIInChI=1S/C9H13IN2OS/c1-13-9(5-3-2-4-6-9)7-11-8(10)14-12-7/h2-6H2,1H3
InChIKeyZAKXVNRVPCICHL-UHFFFAOYSA-N
XLogP2.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 52.95
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-Chloro-3-(2-methyloxan-2-yl)-1,2,4-thiadiazole
CID 80680722
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-3-methylcyclohexyl)-1,2,4-thiadiazole
CID 102617993
5-Bromo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole
CID 102618045
5-Bromo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole
CID 102618116
5-Bromo-3-[cyclohexyl(methoxy)methyl]-1,2,4-thiadiazole
CID 102618117
5-Bromo-3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-thiadiazole
CID 102618184
5-Bromo-3-(2-methyloxan-2-yl)-1,2,4-thiadiazole
CID 102618225
5-Bromo-3-(1-ethoxycyclohexyl)-1,2,4-thiadiazole
CID 102618227
5-Bromo-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole
CID 102618268
5-Bromo-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole
CID 102618275

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole?
The IUPAC name of 5-iodo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole (CID 102618348) is 5-iodo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-iodo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-iodo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole is COC1(c2nsc(I)n2)CCCCC1.
What is the InChIKey of 5-iodo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole?
The InChIKey is ZAKXVNRVPCICHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2OS/c1-13-9(5-3-2-4-6-9)7-11-8(10)14-12-7/h2-6H2,1H3.
What are the key properties of 5-iodo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole?
5-iodo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole has a molecular weight of 324.19 g/mol, XLogP of 2.95, 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-methoxycyclohexyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).