N,N-diethyl-1-(1,2,4-thiadiazol-5-yl)ethanamine

C8H15N3S — CID 141122334

IUPACN,N-diethyl-1-(1,2,4-thiadiazol-5-yl)ethanamine
SMILESCCN(CC)C(C)c1ncns1
InChIInChI=1S/C8H15N3S/c1-4-11(5-2)7(3)8-9-6-10-12-8/h6-7H,4-5H2,1-3H3
InChIKeyOGZBJOSJXSTKGP-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.94
Rot. Bonds4

About N,N-diethyl-1-(1,2,4-thiadiazol-5-yl)ethanamine

N,N-diethyl-1-(1,2,4-thiadiazol-5-yl)ethanamine (PubChem CID 141122334) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N,N-diethyl-1-(1,2,4-thiadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-1-(1,2,4-thiadiazol-5-yl)ethanamine
PubChem CID141122334
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN,N-diethyl-1-(1,2,4-thiadiazol-5-yl)ethanamine
SMILESCCN(CC)C(C)c1ncns1
InChIInChI=1S/C8H15N3S/c1-4-11(5-2)7(3)8-9-6-10-12-8/h6-7H,4-5H2,1-3H3
InChIKeyOGZBJOSJXSTKGP-UHFFFAOYSA-N
XLogP1.94
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(1,2,4-thiadiazol-5-yl)ethanamine?
The IUPAC name of N,N-diethyl-1-(1,2,4-thiadiazol-5-yl)ethanamine (CID 141122334) is N,N-diethyl-1-(1,2,4-thiadiazol-5-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-1-(1,2,4-thiadiazol-5-yl)ethanamine?
The canonical SMILES for N,N-diethyl-1-(1,2,4-thiadiazol-5-yl)ethanamine is CCN(CC)C(C)c1ncns1.
What is the InChIKey of N,N-diethyl-1-(1,2,4-thiadiazol-5-yl)ethanamine?
The InChIKey is OGZBJOSJXSTKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-4-11(5-2)7(3)8-9-6-10-12-8/h6-7H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-1-(1,2,4-thiadiazol-5-yl)ethanamine?
N,N-diethyl-1-(1,2,4-thiadiazol-5-yl)ethanamine has a molecular weight of 185.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(1,2,4-thiadiazol-5-yl)ethanamine is sourced from PubChem (CID 141122334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).