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

C11H21N5S — CID 62178738

IUPACN-ethyl-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine
SMILESCCNc1snnc1CN1CCN(CC)CC1
InChIInChI=1S/C11H21N5S/c1-3-12-11-10(13-14-17-11)9-16-7-5-15(4-2)6-8-16/h12H,3-9H2,1-2H3
InChIKeyJWVKUDWTCPGMCH-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.11
Rot. Bonds5

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

N-ethyl-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine (PubChem CID 62178738) has the molecular formula C11H21N5S and a molecular weight of 255.39 g/mol. Its IUPAC name is N-ethyl-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine
PubChem CID62178738
Molecular FormulaC11H21N5S
Molecular Weight255.39 g/mol
Exact Mass255.15
IUPAC NameN-ethyl-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine
SMILESCCNc1snnc1CN1CCN(CC)CC1
InChIInChI=1S/C11H21N5S/c1-3-12-11-10(13-14-17-11)9-16-7-5-15(4-2)6-8-16/h12H,3-9H2,1-2H3
InChIKeyJWVKUDWTCPGMCH-UHFFFAOYSA-N
XLogP1.11
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine?
The IUPAC name of N-ethyl-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine (CID 62178738) is N-ethyl-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine?
The canonical SMILES for N-ethyl-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine is CCNc1snnc1CN1CCN(CC)CC1.
What is the InChIKey of N-ethyl-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine?
The InChIKey is JWVKUDWTCPGMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5S/c1-3-12-11-10(13-14-17-11)9-16-7-5-15(4-2)6-8-16/h12H,3-9H2,1-2H3.
What are the key properties of N-ethyl-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine?
N-ethyl-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine has a molecular weight of 255.39 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine is sourced from PubChem (CID 62178738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).