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

C10H15IN2S — CID 102618664

IUPAC3-(3-ethylcyclohexyl)-5-iodo-1,2,4-thiadiazole
SMILESCCC1CCCC(c2nsc(I)n2)C1
InChIInChI=1S/C10H15IN2S/c1-2-7-4-3-5-8(6-7)9-12-10(11)14-13-9/h7-8H,2-6H2,1H3
InChIKeyHHTXZLSVMJTTCC-UHFFFAOYSA-N
MW322.22 g/mol
LogP3.83
Rot. Bonds2

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

3-(3-ethylcyclohexyl)-5-iodo-1,2,4-thiadiazole (PubChem CID 102618664) has the molecular formula C10H15IN2S and a molecular weight of 322.22 g/mol. Its IUPAC name is 3-(3-ethylcyclohexyl)-5-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(3-ethylcyclohexyl)-5-iodo-1,2,4-thiadiazole
PubChem CID102618664
Molecular FormulaC10H15IN2S
Molecular Weight322.22 g/mol
Exact Mass322.00
IUPAC Name3-(3-ethylcyclohexyl)-5-iodo-1,2,4-thiadiazole
SMILESCCC1CCCC(c2nsc(I)n2)C1
InChIInChI=1S/C10H15IN2S/c1-2-7-4-3-5-8(6-7)9-12-10(11)14-13-9/h7-8H,2-6H2,1H3
InChIKeyHHTXZLSVMJTTCC-UHFFFAOYSA-N
XLogP3.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylcyclohexyl)-5-iodo-1,2,4-thiadiazole?
The IUPAC name of 3-(3-ethylcyclohexyl)-5-iodo-1,2,4-thiadiazole (CID 102618664) is 3-(3-ethylcyclohexyl)-5-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 3-(3-ethylcyclohexyl)-5-iodo-1,2,4-thiadiazole?
The canonical SMILES for 3-(3-ethylcyclohexyl)-5-iodo-1,2,4-thiadiazole is CCC1CCCC(c2nsc(I)n2)C1.
What is the InChIKey of 3-(3-ethylcyclohexyl)-5-iodo-1,2,4-thiadiazole?
The InChIKey is HHTXZLSVMJTTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2S/c1-2-7-4-3-5-8(6-7)9-12-10(11)14-13-9/h7-8H,2-6H2,1H3.
What are the key properties of 3-(3-ethylcyclohexyl)-5-iodo-1,2,4-thiadiazole?
3-(3-ethylcyclohexyl)-5-iodo-1,2,4-thiadiazole has a molecular weight of 322.22 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylcyclohexyl)-5-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 102618664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).