4-[[cyclohexylmethyl(methyl)amino]methyl]-N-propylthiadiazol-5-amine

C14H26N4S — CID 55046284

IUPAC4-[[cyclohexylmethyl(methyl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)CC1CCCCC1
InChIInChI=1S/C14H26N4S/c1-3-9-15-14-13(16-17-19-14)11-18(2)10-12-7-5-4-6-8-12/h12,15H,3-11H2,1-2H3
InChIKeyIQOARYBWQJXRNQ-UHFFFAOYSA-N
MW282.46 g/mol
LogP3.37
Rot. Bonds7

About 4-[[cyclohexylmethyl(methyl)amino]methyl]-N-propylthiadiazol-5-amine

4-[[cyclohexylmethyl(methyl)amino]methyl]-N-propylthiadiazol-5-amine (PubChem CID 55046284) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is 4-[[cyclohexylmethyl(methyl)amino]methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[cyclohexylmethyl(methyl)amino]methyl]-N-propylthiadiazol-5-amine
PubChem CID55046284
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name4-[[cyclohexylmethyl(methyl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)CC1CCCCC1
InChIInChI=1S/C14H26N4S/c1-3-9-15-14-13(16-17-19-14)11-18(2)10-12-7-5-4-6-8-12/h12,15H,3-11H2,1-2H3
InChIKeyIQOARYBWQJXRNQ-UHFFFAOYSA-N
XLogP3.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Cyclohexylamino-4-thiocarbamoyl-1,2,3-thiadiazole
CID 14146092
N-propyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiadiazol-5-amine
CID 65531037
N-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiadiazol-5-amine
CID 65531615
N-ethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiadiazol-5-amine
CID 65531616
N-propyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiadiazol-5-amine
CID 65532198
N-methyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiadiazol-5-amine
CID 65532777
N-ethyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiadiazol-5-amine
CID 65532967
4-[[methyl(pentan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
CID 55046074
N-ethyl-4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine
CID 55046091
4-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-methylthiadiazol-5-amine
CID 55046093
4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
CID 55046139
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethylthiadiazol-5-amine
CID 55046143

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclohexylmethyl(methyl)amino]methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[[cyclohexylmethyl(methyl)amino]methyl]-N-propylthiadiazol-5-amine (CID 55046284) is 4-[[cyclohexylmethyl(methyl)amino]methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[[cyclohexylmethyl(methyl)amino]methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[[cyclohexylmethyl(methyl)amino]methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN(C)CC1CCCCC1.
What is the InChIKey of 4-[[cyclohexylmethyl(methyl)amino]methyl]-N-propylthiadiazol-5-amine?
The InChIKey is IQOARYBWQJXRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-3-9-15-14-13(16-17-19-14)11-18(2)10-12-7-5-4-6-8-12/h12,15H,3-11H2,1-2H3.
What are the key properties of 4-[[cyclohexylmethyl(methyl)amino]methyl]-N-propylthiadiazol-5-amine?
4-[[cyclohexylmethyl(methyl)amino]methyl]-N-propylthiadiazol-5-amine has a molecular weight of 282.46 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclohexylmethyl(methyl)amino]methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 55046284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).