N-(thiadiazol-5-ylmethyl)ethanamine

C5H9N3S — CID 64985023

IUPACN-(thiadiazol-5-ylmethyl)ethanamine
SMILESCCNCc1cnns1
InChIInChI=1S/C5H9N3S/c1-2-6-3-5-4-7-8-9-5/h4,6H,2-3H2,1H3
InChIKeyQDCTVOKQCROPEX-UHFFFAOYSA-N
MW143.22 g/mol
LogP0.65
Rot. Bonds3

About N-(thiadiazol-5-ylmethyl)ethanamine

N-(thiadiazol-5-ylmethyl)ethanamine (PubChem CID 64985023) has the molecular formula C5H9N3S and a molecular weight of 143.22 g/mol. Its IUPAC name is N-(thiadiazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(thiadiazol-5-ylmethyl)ethanamine
PubChem CID64985023
Molecular FormulaC5H9N3S
Molecular Weight143.22 g/mol
Exact Mass143.05
IUPAC NameN-(thiadiazol-5-ylmethyl)ethanamine
SMILESCCNCc1cnns1
InChIInChI=1S/C5H9N3S/c1-2-6-3-5-4-7-8-9-5/h4,6H,2-3H2,1H3
InChIKeyQDCTVOKQCROPEX-UHFFFAOYSA-N
XLogP0.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.22
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(thiadiazol-5-ylmethyl)ethanamine?
The IUPAC name of N-(thiadiazol-5-ylmethyl)ethanamine (CID 64985023) is N-(thiadiazol-5-ylmethyl)ethanamine.
What is the SMILES notation for N-(thiadiazol-5-ylmethyl)ethanamine?
The canonical SMILES for N-(thiadiazol-5-ylmethyl)ethanamine is CCNCc1cnns1.
What is the InChIKey of N-(thiadiazol-5-ylmethyl)ethanamine?
The InChIKey is QDCTVOKQCROPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-2-6-3-5-4-7-8-9-5/h4,6H,2-3H2,1H3.
What are the key properties of N-(thiadiazol-5-ylmethyl)ethanamine?
N-(thiadiazol-5-ylmethyl)ethanamine has a molecular weight of 143.22 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 64985023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).