N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]thiadiazol-5-amine

C10H19N5S — CID 62178942

IUPACN-ethyl-4-[(4-methylpiperazin-1-yl)methyl]thiadiazol-5-amine
SMILESCCNc1snnc1CN1CCN(C)CC1
InChIInChI=1S/C10H19N5S/c1-3-11-10-9(12-13-16-10)8-15-6-4-14(2)5-7-15/h11H,3-8H2,1-2H3
InChIKeyULOINGZHLDIBDG-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.72
Rot. Bonds4

About N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]thiadiazol-5-amine

N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]thiadiazol-5-amine (PubChem CID 62178942) has the molecular formula C10H19N5S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-[(4-methylpiperazin-1-yl)methyl]thiadiazol-5-amine
PubChem CID62178942
Molecular FormulaC10H19N5S
Molecular Weight241.36 g/mol
Exact Mass241.14
IUPAC NameN-ethyl-4-[(4-methylpiperazin-1-yl)methyl]thiadiazol-5-amine
SMILESCCNc1snnc1CN1CCN(C)CC1
InChIInChI=1S/C10H19N5S/c1-3-11-10-9(12-13-16-10)8-15-6-4-14(2)5-7-15/h11H,3-8H2,1-2H3
InChIKeyULOINGZHLDIBDG-UHFFFAOYSA-N
XLogP0.72
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
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
N-ethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62183660

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]thiadiazol-5-amine?
The IUPAC name of N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]thiadiazol-5-amine (CID 62178942) is N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]thiadiazol-5-amine?
The canonical SMILES for N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]thiadiazol-5-amine is CCNc1snnc1CN1CCN(C)CC1.
What is the InChIKey of N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]thiadiazol-5-amine?
The InChIKey is ULOINGZHLDIBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5S/c1-3-11-10-9(12-13-16-10)8-15-6-4-14(2)5-7-15/h11H,3-8H2,1-2H3.
What are the key properties of N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]thiadiazol-5-amine?
N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]thiadiazol-5-amine has a molecular weight of 241.36 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]thiadiazol-5-amine is sourced from PubChem (CID 62178942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).