2-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine

C8H15N3OS2 — CID 62577422

IUPAC2-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine
SMILESCOCCNCCSc1nnc(C)s1
InChIInChI=1S/C8H15N3OS2/c1-7-10-11-8(14-7)13-6-4-9-3-5-12-2/h9H,3-6H2,1-2H3
InChIKeyQPZVIHHGVOVZNE-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.17
Rot. Bonds7

About 2-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine

2-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine (PubChem CID 62577422) has the molecular formula C8H15N3OS2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine
PubChem CID62577422
Molecular FormulaC8H15N3OS2
Molecular Weight233.36 g/mol
Exact Mass233.07
IUPAC Name2-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine
SMILESCOCCNCCSc1nnc(C)s1
InChIInChI=1S/C8H15N3OS2/c1-7-10-11-8(14-7)13-6-4-9-3-5-12-2/h9H,3-6H2,1-2H3
InChIKeyQPZVIHHGVOVZNE-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine?
The IUPAC name of 2-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine (CID 62577422) is 2-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine is COCCNCCSc1nnc(C)s1.
What is the InChIKey of 2-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine?
The InChIKey is QPZVIHHGVOVZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS2/c1-7-10-11-8(14-7)13-6-4-9-3-5-12-2/h9H,3-6H2,1-2H3.
What are the key properties of 2-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine?
2-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine has a molecular weight of 233.36 g/mol, XLogP of 1.17, 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-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine is sourced from PubChem (CID 62577422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).