4-(2-butoxyethoxymethyl)-N-propylthiadiazol-5-amine

C12H23N3O2S — CID 55045214

IUPAC4-(2-butoxyethoxymethyl)-N-propylthiadiazol-5-amine
SMILESCCCCOCCOCc1nnsc1NCCC
InChIInChI=1S/C12H23N3O2S/c1-3-5-7-16-8-9-17-10-11-12(13-6-4-2)18-15-14-11/h13H,3-10H2,1-2H3
InChIKeyXEWWKDJPTWOFHD-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.69
Rot. Bonds11

About 4-(2-butoxyethoxymethyl)-N-propylthiadiazol-5-amine

4-(2-butoxyethoxymethyl)-N-propylthiadiazol-5-amine (PubChem CID 55045214) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 4-(2-butoxyethoxymethyl)-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-(2-butoxyethoxymethyl)-N-propylthiadiazol-5-amine
PubChem CID55045214
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name4-(2-butoxyethoxymethyl)-N-propylthiadiazol-5-amine
SMILESCCCCOCCOCc1nnsc1NCCC
InChIInChI=1S/C12H23N3O2S/c1-3-5-7-16-8-9-17-10-11-12(13-6-4-2)18-15-14-11/h13H,3-10H2,1-2H3
InChIKeyXEWWKDJPTWOFHD-UHFFFAOYSA-N
XLogP2.69
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.69
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-butoxyethoxymethyl)-N-propylthiadiazol-5-amine?
The IUPAC name of 4-(2-butoxyethoxymethyl)-N-propylthiadiazol-5-amine (CID 55045214) is 4-(2-butoxyethoxymethyl)-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-(2-butoxyethoxymethyl)-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-(2-butoxyethoxymethyl)-N-propylthiadiazol-5-amine is CCCCOCCOCc1nnsc1NCCC.
What is the InChIKey of 4-(2-butoxyethoxymethyl)-N-propylthiadiazol-5-amine?
The InChIKey is XEWWKDJPTWOFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-3-5-7-16-8-9-17-10-11-12(13-6-4-2)18-15-14-11/h13H,3-10H2,1-2H3.
What are the key properties of 4-(2-butoxyethoxymethyl)-N-propylthiadiazol-5-amine?
4-(2-butoxyethoxymethyl)-N-propylthiadiazol-5-amine has a molecular weight of 273.40 g/mol, XLogP of 2.69, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethoxymethyl)-N-propylthiadiazol-5-amine is sourced from PubChem (CID 55045214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).