2-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine

C7H13N3OS2 — CID 62577673

IUPAC2-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine
SMILESCOCCNCCSc1nncs1
InChIInChI=1S/C7H13N3OS2/c1-11-4-2-8-3-5-12-7-10-9-6-13-7/h6,8H,2-5H2,1H3
InChIKeyHYOWEGADXYUCLJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP0.87
Rot. Bonds7

About 2-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine

2-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine (PubChem CID 62577673) has the molecular formula C7H13N3OS2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine
PubChem CID62577673
Molecular FormulaC7H13N3OS2
Molecular Weight219.33 g/mol
Exact Mass219.05
IUPAC Name2-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine
SMILESCOCCNCCSc1nncs1
InChIInChI=1S/C7H13N3OS2/c1-11-4-2-8-3-5-12-7-10-9-6-13-7/h6,8H,2-5H2,1H3
InChIKeyHYOWEGADXYUCLJ-UHFFFAOYSA-N
XLogP0.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 8302613
N-(2-methoxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 62576429
N-(3-ethoxypropyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 62576844
3-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine
CID 62576848
N-(3-methoxypropyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 62577050
N-(2-methoxyethyl)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine
CID 62577464
3-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine
CID 62577670
N-(2-methoxyethyl)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 62577886
2-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine
CID 62578532
2-butoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine
CID 62579168
1-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine
CID 62579385
N-methyl-2-(1,3,4-thiadiazol-2-yloxy)ethanamine
CID 64159820

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine?
The IUPAC name of 2-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine (CID 62577673) is 2-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine is COCCNCCSc1nncs1.
What is the InChIKey of 2-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine?
The InChIKey is HYOWEGADXYUCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS2/c1-11-4-2-8-3-5-12-7-10-9-6-13-7/h6,8H,2-5H2,1H3.
What are the key properties of 2-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine?
2-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 62577673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).