2-methoxy-N-(thiadiazol-4-ylmethyl)ethanamine

C6H11N3OS — CID 43663795

IUPAC2-methoxy-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESCOCCNCc1csnn1
InChIInChI=1S/C6H11N3OS/c1-10-3-2-7-4-6-5-11-9-8-6/h5,7H,2-4H2,1H3
InChIKeySDHKIDKCVMGURH-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.27
Rot. Bonds5

About 2-methoxy-N-(thiadiazol-4-ylmethyl)ethanamine

2-methoxy-N-(thiadiazol-4-ylmethyl)ethanamine (PubChem CID 43663795) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-methoxy-N-(thiadiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-(thiadiazol-4-ylmethyl)ethanamine
PubChem CID43663795
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name2-methoxy-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESCOCCNCc1csnn1
InChIInChI=1S/C6H11N3OS/c1-10-3-2-7-4-6-5-11-9-8-6/h5,7H,2-4H2,1H3
InChIKeySDHKIDKCVMGURH-UHFFFAOYSA-N
XLogP0.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(thiadiazol-4-ylmethyl)ethanamine?
The IUPAC name of 2-methoxy-N-(thiadiazol-4-ylmethyl)ethanamine (CID 43663795) is 2-methoxy-N-(thiadiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-(thiadiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 2-methoxy-N-(thiadiazol-4-ylmethyl)ethanamine is COCCNCc1csnn1.
What is the InChIKey of 2-methoxy-N-(thiadiazol-4-ylmethyl)ethanamine?
The InChIKey is SDHKIDKCVMGURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-10-3-2-7-4-6-5-11-9-8-6/h5,7H,2-4H2,1H3.
What are the key properties of 2-methoxy-N-(thiadiazol-4-ylmethyl)ethanamine?
2-methoxy-N-(thiadiazol-4-ylmethyl)ethanamine has a molecular weight of 173.24 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(thiadiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 43663795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).