N,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine

C8H15N3S2 — CID 54215303

IUPACN,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
SMILESCCN(CC)CCSc1nncs1
InChIInChI=1S/C8H15N3S2/c1-3-11(4-2)5-6-12-8-10-9-7-13-8/h7H,3-6H2,1-2H3
InChIKeyLDRJEYOFENZBOY-UHFFFAOYSA-N
MW217.36 g/mol
LogP1.97
Rot. Bonds6

About N,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine

N,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine (PubChem CID 54215303) has the molecular formula C8H15N3S2 and a molecular weight of 217.36 g/mol. Its IUPAC name is N,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
PubChem CID54215303
Molecular FormulaC8H15N3S2
Molecular Weight217.36 g/mol
Exact Mass217.07
IUPAC NameN,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
SMILESCCN(CC)CCSc1nncs1
InChIInChI=1S/C8H15N3S2/c1-3-11(4-2)5-6-12-8-10-9-7-13-8/h7H,3-6H2,1-2H3
InChIKeyLDRJEYOFENZBOY-UHFFFAOYSA-N
XLogP1.97
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
The IUPAC name of N,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine (CID 54215303) is N,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine is CCN(CC)CCSc1nncs1.
What is the InChIKey of N,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
The InChIKey is LDRJEYOFENZBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S2/c1-3-11(4-2)5-6-12-8-10-9-7-13-8/h7H,3-6H2,1-2H3.
What are the key properties of N,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
N,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine has a molecular weight of 217.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 54215303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).