N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine

C10H12N4S — CID 65208946

IUPACN-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine
SMILESCCNCc1snnc1-c1ccncc1
InChIInChI=1S/C10H12N4S/c1-2-11-7-9-10(13-14-15-9)8-3-5-12-6-4-8/h3-6,11H,2,7H2,1H3
InChIKeyFDRLDXMGXOYNMX-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.71
Rot. Bonds4

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

N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine (PubChem CID 65208946) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine
PubChem CID65208946
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC NameN-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine
SMILESCCNCc1snnc1-c1ccncc1
InChIInChI=1S/C10H12N4S/c1-2-11-7-9-10(13-14-15-9)8-3-5-12-6-4-8/h3-6,11H,2,7H2,1H3
InChIKeyFDRLDXMGXOYNMX-UHFFFAOYSA-N
XLogP1.71
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine (CID 65208946) is N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine is CCNCc1snnc1-c1ccncc1.
What is the InChIKey of N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine?
The InChIKey is FDRLDXMGXOYNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-2-11-7-9-10(13-14-15-9)8-3-5-12-6-4-8/h3-6,11H,2,7H2,1H3.
What are the key properties of N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine?
N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine has a molecular weight of 220.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 65208946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).