4-[(2-ethylcyclohexyl)oxymethyl]thiadiazol-5-amine

C11H19N3OS — CID 62195318

IUPAC4-[(2-ethylcyclohexyl)oxymethyl]thiadiazol-5-amine
SMILESCCC1CCCCC1OCc1nnsc1N
InChIInChI=1S/C11H19N3OS/c1-2-8-5-3-4-6-10(8)15-7-9-11(12)16-14-13-9/h8,10H,2-7,12H2,1H3
InChIKeyZZQCXVYOAVCUKD-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.61
Rot. Bonds4

About 4-[(2-ethylcyclohexyl)oxymethyl]thiadiazol-5-amine

4-[(2-ethylcyclohexyl)oxymethyl]thiadiazol-5-amine (PubChem CID 62195318) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-[(2-ethylcyclohexyl)oxymethyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[(2-ethylcyclohexyl)oxymethyl]thiadiazol-5-amine
PubChem CID62195318
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name4-[(2-ethylcyclohexyl)oxymethyl]thiadiazol-5-amine
SMILESCCC1CCCCC1OCc1nnsc1N
InChIInChI=1S/C11H19N3OS/c1-2-8-5-3-4-6-10(8)15-7-9-11(12)16-14-13-9/h8,10H,2-7,12H2,1H3
InChIKeyZZQCXVYOAVCUKD-UHFFFAOYSA-N
XLogP2.61
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylcyclohexyl)oxymethyl]thiadiazol-5-amine?
The IUPAC name of 4-[(2-ethylcyclohexyl)oxymethyl]thiadiazol-5-amine (CID 62195318) is 4-[(2-ethylcyclohexyl)oxymethyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[(2-ethylcyclohexyl)oxymethyl]thiadiazol-5-amine?
The canonical SMILES for 4-[(2-ethylcyclohexyl)oxymethyl]thiadiazol-5-amine is CCC1CCCCC1OCc1nnsc1N.
What is the InChIKey of 4-[(2-ethylcyclohexyl)oxymethyl]thiadiazol-5-amine?
The InChIKey is ZZQCXVYOAVCUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-2-8-5-3-4-6-10(8)15-7-9-11(12)16-14-13-9/h8,10H,2-7,12H2,1H3.
What are the key properties of 4-[(2-ethylcyclohexyl)oxymethyl]thiadiazol-5-amine?
4-[(2-ethylcyclohexyl)oxymethyl]thiadiazol-5-amine has a molecular weight of 241.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylcyclohexyl)oxymethyl]thiadiazol-5-amine is sourced from PubChem (CID 62195318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).