4-(azocan-1-ylmethyl)-N-ethylthiadiazol-5-amine

C12H22N4S — CID 55046305

IUPAC4-(azocan-1-ylmethyl)-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CN1CCCCCCC1
InChIInChI=1S/C12H22N4S/c1-2-13-12-11(14-15-17-12)10-16-8-6-4-3-5-7-9-16/h13H,2-10H2,1H3
InChIKeyOHLLLSKTVPSURX-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.74
Rot. Bonds4

About 4-(azocan-1-ylmethyl)-N-ethylthiadiazol-5-amine

4-(azocan-1-ylmethyl)-N-ethylthiadiazol-5-amine (PubChem CID 55046305) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 4-(azocan-1-ylmethyl)-N-ethylthiadiazol-5-amine.

Molecular Properties

Compound Name4-(azocan-1-ylmethyl)-N-ethylthiadiazol-5-amine
PubChem CID55046305
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name4-(azocan-1-ylmethyl)-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CN1CCCCCCC1
InChIInChI=1S/C12H22N4S/c1-2-13-12-11(14-15-17-12)10-16-8-6-4-3-5-7-9-16/h13H,2-10H2,1H3
InChIKeyOHLLLSKTVPSURX-UHFFFAOYSA-N
XLogP2.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Cyclohexylamino-4-thiocarbamoyl-1,2,3-thiadiazole
CID 14146092
4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 55046267
N-ethyl-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 55046269
N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182105
N-propyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182106
N-ethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62183327
N-ethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62183660
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62183661
4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62184568
N-ethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]thiadiazol-5-amine
CID 65530453
4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 65532001
4-[[2,2-difluoroethyl(methyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 116317430

Frequently Asked Questions

What is the IUPAC name of 4-(azocan-1-ylmethyl)-N-ethylthiadiazol-5-amine?
The IUPAC name of 4-(azocan-1-ylmethyl)-N-ethylthiadiazol-5-amine (CID 55046305) is 4-(azocan-1-ylmethyl)-N-ethylthiadiazol-5-amine.
What is the SMILES notation for 4-(azocan-1-ylmethyl)-N-ethylthiadiazol-5-amine?
The canonical SMILES for 4-(azocan-1-ylmethyl)-N-ethylthiadiazol-5-amine is CCNc1snnc1CN1CCCCCCC1.
What is the InChIKey of 4-(azocan-1-ylmethyl)-N-ethylthiadiazol-5-amine?
The InChIKey is OHLLLSKTVPSURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-2-13-12-11(14-15-17-12)10-16-8-6-4-3-5-7-9-16/h13H,2-10H2,1H3.
What are the key properties of 4-(azocan-1-ylmethyl)-N-ethylthiadiazol-5-amine?
4-(azocan-1-ylmethyl)-N-ethylthiadiazol-5-amine has a molecular weight of 254.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azocan-1-ylmethyl)-N-ethylthiadiazol-5-amine is sourced from PubChem (CID 55046305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).