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

C12H23N5S — CID 55046442

IUPAC4-[(4-ethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN1CCN(CC)CC1
InChIInChI=1S/C12H23N5S/c1-3-5-13-12-11(14-15-18-12)10-17-8-6-16(4-2)7-9-17/h13H,3-10H2,1-2H3
InChIKeyZBWDUXWTUBVRHL-UHFFFAOYSA-N
MW269.42 g/mol
LogP1.50
Rot. Bonds6

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

4-[(4-ethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine (PubChem CID 55046442) has the molecular formula C12H23N5S and a molecular weight of 269.42 g/mol. Its IUPAC name is 4-[(4-ethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(4-ethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine
PubChem CID55046442
Molecular FormulaC12H23N5S
Molecular Weight269.42 g/mol
Exact Mass269.17
IUPAC Name4-[(4-ethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN1CCN(CC)CC1
InChIInChI=1S/C12H23N5S/c1-3-5-13-12-11(14-15-18-12)10-17-8-6-16(4-2)7-9-17/h13H,3-10H2,1-2H3
InChIKeyZBWDUXWTUBVRHL-UHFFFAOYSA-N
XLogP1.50
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 51.50
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 4-[(4-ethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[(4-ethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine (CID 55046442) is 4-[(4-ethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[(4-ethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[(4-ethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN1CCN(CC)CC1.
What is the InChIKey of 4-[(4-ethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine?
The InChIKey is ZBWDUXWTUBVRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5S/c1-3-5-13-12-11(14-15-18-12)10-17-8-6-16(4-2)7-9-17/h13H,3-10H2,1-2H3.
What are the key properties of 4-[(4-ethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine?
4-[(4-ethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine has a molecular weight of 269.42 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 55046442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).