4-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine

C14H25N5S — CID 62370305

IUPAC4-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C14H25N5S/c1-2-15-14-13(16-17-20-14)11-18-7-9-19(10-8-18)12-5-3-4-6-12/h12,15H,2-11H2,1H3
InChIKeyCPLKLTHOWAGWPT-UHFFFAOYSA-N
MW295.46 g/mol
LogP2.03
Rot. Bonds5

About 4-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine

4-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine (PubChem CID 62370305) has the molecular formula C14H25N5S and a molecular weight of 295.46 g/mol. Its IUPAC name is 4-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine
PubChem CID62370305
Molecular FormulaC14H25N5S
Molecular Weight295.46 g/mol
Exact Mass295.18
IUPAC Name4-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C14H25N5S/c1-2-15-14-13(16-17-20-14)11-18-7-9-19(10-8-18)12-5-3-4-6-12/h12,15H,2-11H2,1H3
InChIKeyCPLKLTHOWAGWPT-UHFFFAOYSA-N
XLogP2.03
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethylthiadiazol-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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine?
The IUPAC name of 4-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine (CID 62370305) is 4-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine.
What is the SMILES notation for 4-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine?
The canonical SMILES for 4-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine is CCNc1snnc1CN1CCN(C2CCCC2)CC1.
What is the InChIKey of 4-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine?
The InChIKey is CPLKLTHOWAGWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5S/c1-2-15-14-13(16-17-20-14)11-18-7-9-19(10-8-18)12-5-3-4-6-12/h12,15H,2-11H2,1H3.
What are the key properties of 4-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine?
4-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine has a molecular weight of 295.46 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine is sourced from PubChem (CID 62370305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).