3-ethenoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine

C8H13N3OS — CID 43664076

IUPAC3-ethenoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESC=COCCCNCc1csnn1
InChIInChI=1S/C8H13N3OS/c1-2-12-5-3-4-9-6-8-7-13-11-10-8/h2,7,9H,1,3-6H2
InChIKeyWYKLLJKHXVUOIO-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.18
Rot. Bonds7

About 3-ethenoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine

3-ethenoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine (PubChem CID 43664076) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 3-ethenoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-ethenoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine
PubChem CID43664076
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name3-ethenoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESC=COCCCNCc1csnn1
InChIInChI=1S/C8H13N3OS/c1-2-12-5-3-4-9-6-8-7-13-11-10-8/h2,7,9H,1,3-6H2
InChIKeyWYKLLJKHXVUOIO-UHFFFAOYSA-N
XLogP1.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(thiadiazol-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63828537
2-(2,2-difluoroethoxy)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 103083073
N-(thiadiazol-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 115904722
3-fluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 115908278
N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663782
N'-(thiadiazol-4-ylmethyl)ethane-1,2-diamine
CID 60888547
Propyl[(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43663780
N-(thiadiazol-4-ylmethyl)prop-2-en-1-amine
CID 43663785
N-(thiadiazol-4-ylmethyl)propan-2-amine
CID 43663794
2-methoxy-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663795
(Butan-2-yl)[(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43663796
N-(thiadiazol-4-ylmethyl)pentan-3-amine
CID 43663799

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-ethenoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine (CID 43664076) is 3-ethenoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-ethenoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-ethenoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine is C=COCCCNCc1csnn1.
What is the InChIKey of 3-ethenoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The InChIKey is WYKLLJKHXVUOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-2-12-5-3-4-9-6-8-7-13-11-10-8/h2,7,9H,1,3-6H2.
What are the key properties of 3-ethenoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine?
3-ethenoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine has a molecular weight of 199.28 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 43664076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).