4-[[ethyl(propyl)amino]methyl]-N-methylthiadiazol-5-amine

C9H18N4S — CID 62182547

IUPAC4-[[ethyl(propyl)amino]methyl]-N-methylthiadiazol-5-amine
SMILESCCCN(CC)Cc1nnsc1NC
InChIInChI=1S/C9H18N4S/c1-4-6-13(5-2)7-8-9(10-3)14-12-11-8/h10H,4-7H2,1-3H3
InChIKeyCSPZYEPSZDPYIV-UHFFFAOYSA-N
MW214.34 g/mol
LogP1.81
Rot. Bonds6

About 4-[[ethyl(propyl)amino]methyl]-N-methylthiadiazol-5-amine

4-[[ethyl(propyl)amino]methyl]-N-methylthiadiazol-5-amine (PubChem CID 62182547) has the molecular formula C9H18N4S and a molecular weight of 214.34 g/mol. Its IUPAC name is 4-[[ethyl(propyl)amino]methyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[ethyl(propyl)amino]methyl]-N-methylthiadiazol-5-amine
PubChem CID62182547
Molecular FormulaC9H18N4S
Molecular Weight214.34 g/mol
Exact Mass214.13
IUPAC Name4-[[ethyl(propyl)amino]methyl]-N-methylthiadiazol-5-amine
SMILESCCCN(CC)Cc1nnsc1NC
InChIInChI=1S/C9H18N4S/c1-4-6-13(5-2)7-8-9(10-3)14-12-11-8/h10H,4-7H2,1-3H3
InChIKeyCSPZYEPSZDPYIV-UHFFFAOYSA-N
XLogP1.81
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 55046411
4-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62181921
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
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 62182806
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylthiadiazol-5-amine
CID 62182981
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62182982
N-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62183147
N-ethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62183327
N-methyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62183486

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(propyl)amino]methyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[[ethyl(propyl)amino]methyl]-N-methylthiadiazol-5-amine (CID 62182547) is 4-[[ethyl(propyl)amino]methyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[[ethyl(propyl)amino]methyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[[ethyl(propyl)amino]methyl]-N-methylthiadiazol-5-amine is CCCN(CC)Cc1nnsc1NC.
What is the InChIKey of 4-[[ethyl(propyl)amino]methyl]-N-methylthiadiazol-5-amine?
The InChIKey is CSPZYEPSZDPYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S/c1-4-6-13(5-2)7-8-9(10-3)14-12-11-8/h10H,4-7H2,1-3H3.
What are the key properties of 4-[[ethyl(propyl)amino]methyl]-N-methylthiadiazol-5-amine?
4-[[ethyl(propyl)amino]methyl]-N-methylthiadiazol-5-amine has a molecular weight of 214.34 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(propyl)amino]methyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 62182547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).