cyclohexen-1-yl-(4-ethylthiadiazol-5-yl)methanamine

C11H17N3S — CID 106657215

IUPACcyclohexen-1-yl-(4-ethylthiadiazol-5-yl)methanamine
SMILESCCc1nnsc1C(N)C1=CCCCC1
InChIInChI=1S/C11H17N3S/c1-2-9-11(15-14-13-9)10(12)8-6-4-3-5-7-8/h6,10H,2-5,7,12H2,1H3
InChIKeyDTAULIDPENIGGZ-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.60
Rot. Bonds3

About cyclohexen-1-yl-(4-ethylthiadiazol-5-yl)methanamine

cyclohexen-1-yl-(4-ethylthiadiazol-5-yl)methanamine (PubChem CID 106657215) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is cyclohexen-1-yl-(4-ethylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Namecyclohexen-1-yl-(4-ethylthiadiazol-5-yl)methanamine
PubChem CID106657215
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Namecyclohexen-1-yl-(4-ethylthiadiazol-5-yl)methanamine
SMILESCCc1nnsc1C(N)C1=CCCCC1
InChIInChI=1S/C11H17N3S/c1-2-9-11(15-14-13-9)10(12)8-6-4-3-5-7-8/h6,10H,2-5,7,12H2,1H3
InChIKeyDTAULIDPENIGGZ-UHFFFAOYSA-N
XLogP2.60
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cyclohexen-1-yl-(4-propylthiadiazol-5-yl)methanol
CID 106657927
N-[cycloocten-1-yl-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
CID 106656610
[(1E)-cycloocten-1-yl]-(4-ethylphenyl)methanamine
CID 106652462
cyclohepten-1-yl-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 106657133
(4-ethylthiadiazol-5-yl)-(3-methylphenyl)methanamine
CID 105090458
[(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanamine
CID 106656355
1-(cyclohexen-1-yl)butan-1-amine
CID 62079375
(4-tert-butylthiadiazol-5-yl)-(cyclohexen-1-yl)methanol
CID 106657926
2-cyclobutyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105151524
2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methanamine
CID 105141062
2-cyclopropyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105152733
cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine
CID 62078316

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(4-ethylthiadiazol-5-yl)methanamine?
The IUPAC name of cyclohexen-1-yl-(4-ethylthiadiazol-5-yl)methanamine (CID 106657215) is cyclohexen-1-yl-(4-ethylthiadiazol-5-yl)methanamine.
What is the SMILES notation for cyclohexen-1-yl-(4-ethylthiadiazol-5-yl)methanamine?
The canonical SMILES for cyclohexen-1-yl-(4-ethylthiadiazol-5-yl)methanamine is CCc1nnsc1C(N)C1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl-(4-ethylthiadiazol-5-yl)methanamine?
The InChIKey is DTAULIDPENIGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-2-9-11(15-14-13-9)10(12)8-6-4-3-5-7-8/h6,10H,2-5,7,12H2,1H3.
What are the key properties of cyclohexen-1-yl-(4-ethylthiadiazol-5-yl)methanamine?
cyclohexen-1-yl-(4-ethylthiadiazol-5-yl)methanamine has a molecular weight of 223.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(4-ethylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 106657215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).