4-(2-thiophen-2-ylethoxymethyl)thiadiazol-5-amine

C9H11N3OS2 — CID 62188200

IUPAC4-(2-thiophen-2-ylethoxymethyl)thiadiazol-5-amine
SMILESNc1snnc1COCCc1cccs1
InChIInChI=1S/C9H11N3OS2/c10-9-8(11-12-15-9)6-13-4-3-7-2-1-5-14-7/h1-2,5H,3-4,6,10H2
InChIKeyPKNQMMYARRYUQF-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.94
Rot. Bonds5

About 4-(2-thiophen-2-ylethoxymethyl)thiadiazol-5-amine

4-(2-thiophen-2-ylethoxymethyl)thiadiazol-5-amine (PubChem CID 62188200) has the molecular formula C9H11N3OS2 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-(2-thiophen-2-ylethoxymethyl)thiadiazol-5-amine.

Molecular Properties

Compound Name4-(2-thiophen-2-ylethoxymethyl)thiadiazol-5-amine
PubChem CID62188200
Molecular FormulaC9H11N3OS2
Molecular Weight241.34 g/mol
Exact Mass241.03
IUPAC Name4-(2-thiophen-2-ylethoxymethyl)thiadiazol-5-amine
SMILESNc1snnc1COCCc1cccs1
InChIInChI=1S/C9H11N3OS2/c10-9-8(11-12-15-9)6-13-4-3-7-2-1-5-14-7/h1-2,5H,3-4,6,10H2
InChIKeyPKNQMMYARRYUQF-UHFFFAOYSA-N
XLogP1.94
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.94
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 4-(2-thiophen-2-ylethoxymethyl)thiadiazol-5-amine?
The IUPAC name of 4-(2-thiophen-2-ylethoxymethyl)thiadiazol-5-amine (CID 62188200) is 4-(2-thiophen-2-ylethoxymethyl)thiadiazol-5-amine.
What is the SMILES notation for 4-(2-thiophen-2-ylethoxymethyl)thiadiazol-5-amine?
The canonical SMILES for 4-(2-thiophen-2-ylethoxymethyl)thiadiazol-5-amine is Nc1snnc1COCCc1cccs1.
What is the InChIKey of 4-(2-thiophen-2-ylethoxymethyl)thiadiazol-5-amine?
The InChIKey is PKNQMMYARRYUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS2/c10-9-8(11-12-15-9)6-13-4-3-7-2-1-5-14-7/h1-2,5H,3-4,6,10H2.
What are the key properties of 4-(2-thiophen-2-ylethoxymethyl)thiadiazol-5-amine?
4-(2-thiophen-2-ylethoxymethyl)thiadiazol-5-amine has a molecular weight of 241.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-thiophen-2-ylethoxymethyl)thiadiazol-5-amine is sourced from PubChem (CID 62188200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).