[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methanamine

C10H17N3OS — CID 80620045

IUPAC[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methanamine
SMILESNCc1nnc(OCC2CCCCC2)s1
InChIInChI=1S/C10H17N3OS/c11-6-9-12-13-10(15-9)14-7-8-4-2-1-3-5-8/h8H,1-7,11H2
InChIKeyHBQLSFSOJNRJEG-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.96
Rot. Bonds4

About [5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methanamine

[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methanamine (PubChem CID 80620045) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is [5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methanamine
PubChem CID80620045
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methanamine
SMILESNCc1nnc(OCC2CCCCC2)s1
InChIInChI=1S/C10H17N3OS/c11-6-9-12-13-10(15-9)14-7-8-4-2-1-3-5-8/h8H,1-7,11H2
InChIKeyHBQLSFSOJNRJEG-UHFFFAOYSA-N
XLogP1.96
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methanamine?
The IUPAC name of [5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methanamine (CID 80620045) is [5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methanamine?
The canonical SMILES for [5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methanamine is NCc1nnc(OCC2CCCCC2)s1.
What is the InChIKey of [5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methanamine?
The InChIKey is HBQLSFSOJNRJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c11-6-9-12-13-10(15-9)14-7-8-4-2-1-3-5-8/h8H,1-7,11H2.
What are the key properties of [5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methanamine?
[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methanamine has a molecular weight of 227.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methanamine is sourced from PubChem (CID 80620045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).