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

C10H17N3OS — CID 62194974

IUPAC4-[(2-methylcyclohexyl)oxymethyl]thiadiazol-5-amine
SMILESCC1CCCCC1OCc1nnsc1N
InChIInChI=1S/C10H17N3OS/c1-7-4-2-3-5-9(7)14-6-8-10(11)15-13-12-8/h7,9H,2-6,11H2,1H3
InChIKeyTWWGCIQVKBATDC-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.22
Rot. Bonds3

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

4-[(2-methylcyclohexyl)oxymethyl]thiadiazol-5-amine (PubChem CID 62194974) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-[(2-methylcyclohexyl)oxymethyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[(2-methylcyclohexyl)oxymethyl]thiadiazol-5-amine
PubChem CID62194974
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-[(2-methylcyclohexyl)oxymethyl]thiadiazol-5-amine
SMILESCC1CCCCC1OCc1nnsc1N
InChIInChI=1S/C10H17N3OS/c1-7-4-2-3-5-9(7)14-6-8-10(11)15-13-12-8/h7,9H,2-6,11H2,1H3
InChIKeyTWWGCIQVKBATDC-UHFFFAOYSA-N
XLogP2.22
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylcyclohexyl)oxymethyl]thiadiazol-5-amine?
The IUPAC name of 4-[(2-methylcyclohexyl)oxymethyl]thiadiazol-5-amine (CID 62194974) is 4-[(2-methylcyclohexyl)oxymethyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[(2-methylcyclohexyl)oxymethyl]thiadiazol-5-amine?
The canonical SMILES for 4-[(2-methylcyclohexyl)oxymethyl]thiadiazol-5-amine is CC1CCCCC1OCc1nnsc1N.
What is the InChIKey of 4-[(2-methylcyclohexyl)oxymethyl]thiadiazol-5-amine?
The InChIKey is TWWGCIQVKBATDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7-4-2-3-5-9(7)14-6-8-10(11)15-13-12-8/h7,9H,2-6,11H2,1H3.
What are the key properties of 4-[(2-methylcyclohexyl)oxymethyl]thiadiazol-5-amine?
4-[(2-methylcyclohexyl)oxymethyl]thiadiazol-5-amine has a molecular weight of 227.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylcyclohexyl)oxymethyl]thiadiazol-5-amine is sourced from PubChem (CID 62194974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).