1-cyclohexyl-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine

C12H21N3S — CID 105079515

IUPAC1-cyclohexyl-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
SMILESCCc1nnsc1C(NC)C1CCCCC1
InChIInChI=1S/C12H21N3S/c1-3-10-12(16-15-14-10)11(13-2)9-7-5-4-6-8-9/h9,11,13H,3-8H2,1-2H3
InChIKeyHFQLTZLWESWJMY-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.94
Rot. Bonds4

About 1-cyclohexyl-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine

1-cyclohexyl-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine (PubChem CID 105079515) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 1-cyclohexyl-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclohexyl-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
PubChem CID105079515
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name1-cyclohexyl-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
SMILESCCc1nnsc1C(NC)C1CCCCC1
InChIInChI=1S/C12H21N3S/c1-3-10-12(16-15-14-10)11(13-2)9-7-5-4-6-8-9/h9,11,13H,3-8H2,1-2H3
InChIKeyHFQLTZLWESWJMY-UHFFFAOYSA-N
XLogP2.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105157139
1-(2-ethylcyclohexyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105151122
1-cyclopentyl-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine
CID 105080910
1-(2-ethylcyclohexyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105151094
N-[(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 105147324
N-[cyclopropyl-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105157142
2-cyclobutyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105151524
1-cycloheptyl-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105176237
2-cyclopropyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105152733
1-cyclohexyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylmethanamine
CID 102811927
[(4-methylcyclohexyl)-(4-propylthiadiazol-5-yl)methyl]hydrazine
CID 105311794
1-cycloheptyl-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105176444

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-cyclohexyl-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine (CID 105079515) is 1-cyclohexyl-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-cyclohexyl-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-cyclohexyl-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine is CCc1nnsc1C(NC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine?
The InChIKey is HFQLTZLWESWJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-3-10-12(16-15-14-10)11(13-2)9-7-5-4-6-8-9/h9,11,13H,3-8H2,1-2H3.
What are the key properties of 1-cyclohexyl-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine?
1-cyclohexyl-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine has a molecular weight of 239.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 105079515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).