4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethylthiadiazol-5-amine

C12H20N4S — CID 64522833

IUPAC4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CN(CC1CC1)C1CC1
InChIInChI=1S/C12H20N4S/c1-2-13-12-11(14-15-17-12)8-16(10-5-6-10)7-9-3-4-9/h9-10,13H,2-8H2,1H3
InChIKeyARDBQIWVBMAQEV-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.34
Rot. Bonds7

About 4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethylthiadiazol-5-amine

4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethylthiadiazol-5-amine (PubChem CID 64522833) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethylthiadiazol-5-amine
PubChem CID64522833
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CN(CC1CC1)C1CC1
InChIInChI=1S/C12H20N4S/c1-2-13-12-11(14-15-17-12)8-16(10-5-6-10)7-9-3-4-9/h9-10,13H,2-8H2,1H3
InChIKeyARDBQIWVBMAQEV-UHFFFAOYSA-N
XLogP2.34
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol
CID 62208996
4-(diethylaminomethyl)-N-ethylthiadiazol-5-amine
CID 62178759
N-ethyl-4-[[methyl-(2-methylcyclohexyl)amino]methyl]thiadiazol-5-amine
CID 62207726
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethylthiadiazol-5-amine
CID 55046143
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79714268
4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62209852
4-ethyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylcyclohexan-1-amine
CID 62244219
4-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 78986654
N-ethyl-4-[(4-ethylpiperidin-1-yl)methyl]thiadiazol-5-amine
CID 55046378
4-[[cyclobutylmethyl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 107401410
1-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]propan-2-ol
CID 62337157
[1-[[5-(ethylamino)thiadiazol-4-yl]methyl]piperidin-4-yl]methanol
CID 62176993

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethylthiadiazol-5-amine?
The IUPAC name of 4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethylthiadiazol-5-amine (CID 64522833) is 4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethylthiadiazol-5-amine.
What is the SMILES notation for 4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethylthiadiazol-5-amine?
The canonical SMILES for 4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethylthiadiazol-5-amine is CCNc1snnc1CN(CC1CC1)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethylthiadiazol-5-amine?
The InChIKey is ARDBQIWVBMAQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-2-13-12-11(14-15-17-12)8-16(10-5-6-10)7-9-3-4-9/h9-10,13H,2-8H2,1H3.
What are the key properties of 4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethylthiadiazol-5-amine?
4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethylthiadiazol-5-amine has a molecular weight of 252.39 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethylthiadiazol-5-amine is sourced from PubChem (CID 64522833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).