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

C8H15N3OS2 — CID 62579385

IUPAC1-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine
SMILESCOCC(C)NCCSc1nncs1
InChIInChI=1S/C8H15N3OS2/c1-7(5-12-2)9-3-4-13-8-11-10-6-14-8/h6-7,9H,3-5H2,1-2H3
InChIKeyGYHGIKLRRQBTCM-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.25
Rot. Bonds7

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

1-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine (PubChem CID 62579385) has the molecular formula C8H15N3OS2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine
PubChem CID62579385
Molecular FormulaC8H15N3OS2
Molecular Weight233.36 g/mol
Exact Mass233.07
IUPAC Name1-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine
SMILESCOCC(C)NCCSc1nncs1
InChIInChI=1S/C8H15N3OS2/c1-7(5-12-2)9-3-4-13-8-11-10-6-14-8/h6-7,9H,3-5H2,1-2H3
InChIKeyGYHGIKLRRQBTCM-UHFFFAOYSA-N
XLogP1.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.25
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-(1-methoxypropan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 18076366
1-(Propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 43166401
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
2-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine
CID 62577673
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

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine (CID 62579385) is 1-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine is COCC(C)NCCSc1nncs1.
What is the InChIKey of 1-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine?
The InChIKey is GYHGIKLRRQBTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS2/c1-7(5-12-2)9-3-4-13-8-11-10-6-14-8/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 1-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine?
1-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine has a molecular weight of 233.36 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine is sourced from PubChem (CID 62579385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).