N-[(4-propylthiadiazol-5-yl)methyl]ethanamine

C8H15N3S — CID 65205508

IUPACN-[(4-propylthiadiazol-5-yl)methyl]ethanamine
SMILESCCCc1nnsc1CNCC
InChIInChI=1S/C8H15N3S/c1-3-5-7-8(6-9-4-2)12-11-10-7/h9H,3-6H2,1-2H3
InChIKeyLYANQEFVGPJQNT-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.60
Rot. Bonds5

About N-[(4-propylthiadiazol-5-yl)methyl]ethanamine

N-[(4-propylthiadiazol-5-yl)methyl]ethanamine (PubChem CID 65205508) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N-[(4-propylthiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-propylthiadiazol-5-yl)methyl]ethanamine
PubChem CID65205508
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN-[(4-propylthiadiazol-5-yl)methyl]ethanamine
SMILESCCCc1nnsc1CNCC
InChIInChI=1S/C8H15N3S/c1-3-5-7-8(6-9-4-2)12-11-10-7/h9H,3-6H2,1-2H3
InChIKeyLYANQEFVGPJQNT-UHFFFAOYSA-N
XLogP1.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-propylthiadiazol-5-yl)methyl]ethanamine 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 N-[(4-propylthiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4-propylthiadiazol-5-yl)methyl]ethanamine (CID 65205508) is N-[(4-propylthiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-propylthiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-propylthiadiazol-5-yl)methyl]ethanamine is CCCc1nnsc1CNCC.
What is the InChIKey of N-[(4-propylthiadiazol-5-yl)methyl]ethanamine?
The InChIKey is LYANQEFVGPJQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-3-5-7-8(6-9-4-2)12-11-10-7/h9H,3-6H2,1-2H3.
What are the key properties of N-[(4-propylthiadiazol-5-yl)methyl]ethanamine?
N-[(4-propylthiadiazol-5-yl)methyl]ethanamine has a molecular weight of 185.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propylthiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 65205508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).