5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]thiadiazole

C11H17ClN2OS — CID 43625625

IUPAC5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]thiadiazole
SMILESCCC1CCCCC1OCc1nnsc1Cl
InChIInChI=1S/C11H17ClN2OS/c1-2-8-5-3-4-6-10(8)15-7-9-11(12)16-14-13-9/h8,10H,2-7H2,1H3
InChIKeyMJFXQSTUTPCITA-UHFFFAOYSA-N
MW260.79 g/mol
LogP3.68
Rot. Bonds4

About 5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]thiadiazole

5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]thiadiazole (PubChem CID 43625625) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is 5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]thiadiazole
PubChem CID43625625
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]thiadiazole
SMILESCCC1CCCCC1OCc1nnsc1Cl
InChIInChI=1S/C11H17ClN2OS/c1-2-8-5-3-4-6-10(8)15-7-9-11(12)16-14-13-9/h8,10H,2-7H2,1H3
InChIKeyMJFXQSTUTPCITA-UHFFFAOYSA-N
XLogP3.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]thiadiazole (CID 43625625) is 5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]thiadiazole is CCC1CCCCC1OCc1nnsc1Cl.
What is the InChIKey of 5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]thiadiazole?
The InChIKey is MJFXQSTUTPCITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2OS/c1-2-8-5-3-4-6-10(8)15-7-9-11(12)16-14-13-9/h8,10H,2-7H2,1H3.
What are the key properties of 5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]thiadiazole?
5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]thiadiazole has a molecular weight of 260.79 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]thiadiazole is sourced from PubChem (CID 43625625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).