4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-amine

C12H21N3OS — CID 62194999

IUPAC4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-amine
SMILESCC1CC(OCc2nnsc2N)CC(C)(C)C1
InChIInChI=1S/C12H21N3OS/c1-8-4-9(6-12(2,3)5-8)16-7-10-11(13)17-15-14-10/h8-9H,4-7,13H2,1-3H3
InChIKeyJDQKDYFJHBHRCR-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.85
Rot. Bonds3

About 4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-amine

4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-amine (PubChem CID 62194999) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-amine
PubChem CID62194999
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-amine
SMILESCC1CC(OCc2nnsc2N)CC(C)(C)C1
InChIInChI=1S/C12H21N3OS/c1-8-4-9(6-12(2,3)5-8)16-7-10-11(13)17-15-14-10/h8-9H,4-7,13H2,1-3H3
InChIKeyJDQKDYFJHBHRCR-UHFFFAOYSA-N
XLogP2.85
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-amine?
The IUPAC name of 4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-amine (CID 62194999) is 4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-amine?
The canonical SMILES for 4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-amine is CC1CC(OCc2nnsc2N)CC(C)(C)C1.
What is the InChIKey of 4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-amine?
The InChIKey is JDQKDYFJHBHRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-8-4-9(6-12(2,3)5-8)16-7-10-11(13)17-15-14-10/h8-9H,4-7,13H2,1-3H3.
What are the key properties of 4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-amine?
4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-amine has a molecular weight of 255.39 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-amine is sourced from PubChem (CID 62194999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).