4-(pentoxymethyl)thiadiazol-5-amine

C8H15N3OS — CID 62194145

IUPAC4-(pentoxymethyl)thiadiazol-5-amine
SMILESCCCCCOCc1nnsc1N
InChIInChI=1S/C8H15N3OS/c1-2-3-4-5-12-6-7-8(9)13-11-10-7/h2-6,9H2,1H3
InChIKeySONQFTPNKGQUJO-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.83
Rot. Bonds6

About 4-(pentoxymethyl)thiadiazol-5-amine

4-(pentoxymethyl)thiadiazol-5-amine (PubChem CID 62194145) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 4-(pentoxymethyl)thiadiazol-5-amine.

Molecular Properties

Compound Name4-(pentoxymethyl)thiadiazol-5-amine
PubChem CID62194145
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name4-(pentoxymethyl)thiadiazol-5-amine
SMILESCCCCCOCc1nnsc1N
InChIInChI=1S/C8H15N3OS/c1-2-3-4-5-12-6-7-8(9)13-11-10-7/h2-6,9H2,1H3
InChIKeySONQFTPNKGQUJO-UHFFFAOYSA-N
XLogP1.83
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.83
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 4-(pentoxymethyl)thiadiazol-5-amine?
The IUPAC name of 4-(pentoxymethyl)thiadiazol-5-amine (CID 62194145) is 4-(pentoxymethyl)thiadiazol-5-amine.
What is the SMILES notation for 4-(pentoxymethyl)thiadiazol-5-amine?
The canonical SMILES for 4-(pentoxymethyl)thiadiazol-5-amine is CCCCCOCc1nnsc1N.
What is the InChIKey of 4-(pentoxymethyl)thiadiazol-5-amine?
The InChIKey is SONQFTPNKGQUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-2-3-4-5-12-6-7-8(9)13-11-10-7/h2-6,9H2,1H3.
What are the key properties of 4-(pentoxymethyl)thiadiazol-5-amine?
4-(pentoxymethyl)thiadiazol-5-amine has a molecular weight of 201.29 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentoxymethyl)thiadiazol-5-amine is sourced from PubChem (CID 62194145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).