N-ethyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine

C8H13N3S — CID 105108416

IUPACN-ethyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine
SMILESC=CCC(NCC)c1cnsn1
InChIInChI=1S/C8H13N3S/c1-3-5-7(9-4-2)8-6-10-12-11-8/h3,6-7,9H,1,4-5H2,2H3
InChIKeyHGSPDBLTHBPOMZ-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.76
Rot. Bonds5

About N-ethyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine

N-ethyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine (PubChem CID 105108416) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is N-ethyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine
PubChem CID105108416
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC NameN-ethyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine
SMILESC=CCC(NCC)c1cnsn1
InChIInChI=1S/C8H13N3S/c1-3-5-7(9-4-2)8-6-10-12-11-8/h3,6-7,9H,1,4-5H2,2H3
InChIKeyHGSPDBLTHBPOMZ-UHFFFAOYSA-N
XLogP1.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-propyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine
CID 105108337
N-ethyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine
CID 105078883
N-ethyl-4-methyl-1-(1,2,5-thiadiazol-3-yl)pent-4-en-1-amine
CID 105182650
N-ethyl-1-(1,2,5-thiadiazol-3-yl)undecan-1-amine
CID 105138214
N-ethyl-1-(thiadiazol-4-yl)but-3-en-1-amine
CID 105108314
N,2-diethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
CID 105168600
N-ethyl-2-(1-methylimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105167206
N-ethyl-1-pyrimidin-4-ylbut-3-en-1-amine
CID 63990208
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 103053015
N-ethyl-1-thiophen-3-ylbut-3-en-1-amine
CID 61380819
1-(1,2,5-thiadiazol-3-yl)pent-4-enylhydrazine
CID 105311515
2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105110441

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine?
The IUPAC name of N-ethyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine (CID 105108416) is N-ethyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine.
What is the SMILES notation for N-ethyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine?
The canonical SMILES for N-ethyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine is C=CCC(NCC)c1cnsn1.
What is the InChIKey of N-ethyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine?
The InChIKey is HGSPDBLTHBPOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-3-5-7(9-4-2)8-6-10-12-11-8/h3,6-7,9H,1,4-5H2,2H3.
What are the key properties of N-ethyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine?
N-ethyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine has a molecular weight of 183.28 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine is sourced from PubChem (CID 105108416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).