4-(heptoxymethyl)thiadiazol-5-amine

C10H19N3OS — CID 62194120

IUPAC4-(heptoxymethyl)thiadiazol-5-amine
SMILESCCCCCCCOCc1nnsc1N
InChIInChI=1S/C10H19N3OS/c1-2-3-4-5-6-7-14-8-9-10(11)15-13-12-9/h2-8,11H2,1H3
InChIKeyPSCDEQWLQYIVKW-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.61
Rot. Bonds8

About 4-(heptoxymethyl)thiadiazol-5-amine

4-(heptoxymethyl)thiadiazol-5-amine (PubChem CID 62194120) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 4-(heptoxymethyl)thiadiazol-5-amine.

Molecular Properties

Compound Name4-(heptoxymethyl)thiadiazol-5-amine
PubChem CID62194120
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name4-(heptoxymethyl)thiadiazol-5-amine
SMILESCCCCCCCOCc1nnsc1N
InChIInChI=1S/C10H19N3OS/c1-2-3-4-5-6-7-14-8-9-10(11)15-13-12-9/h2-8,11H2,1H3
InChIKeyPSCDEQWLQYIVKW-UHFFFAOYSA-N
XLogP2.61
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.61
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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Related Compounds

CID 62187814
CID 62187814
CID 62188713
CID 62188713
CID 62189585
CID 62189585
CID 62193056
CID 62193056
CID 62193059
CID 62193059
CID 62193067
CID 62193067
CID 62193071
CID 62193071
CID 62193194
CID 62193194
CID 62193245
CID 62193245
CID 62193249
CID 62193249
CID 62193388
CID 62193388
CID 62193424
CID 62193424

Frequently Asked Questions

What is the IUPAC name of 4-(heptoxymethyl)thiadiazol-5-amine?
The IUPAC name of 4-(heptoxymethyl)thiadiazol-5-amine (CID 62194120) is 4-(heptoxymethyl)thiadiazol-5-amine.
What is the SMILES notation for 4-(heptoxymethyl)thiadiazol-5-amine?
The canonical SMILES for 4-(heptoxymethyl)thiadiazol-5-amine is CCCCCCCOCc1nnsc1N.
What is the InChIKey of 4-(heptoxymethyl)thiadiazol-5-amine?
The InChIKey is PSCDEQWLQYIVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-2-3-4-5-6-7-14-8-9-10(11)15-13-12-9/h2-8,11H2,1H3.
What are the key properties of 4-(heptoxymethyl)thiadiazol-5-amine?
4-(heptoxymethyl)thiadiazol-5-amine has a molecular weight of 229.35 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(heptoxymethyl)thiadiazol-5-amine is sourced from PubChem (CID 62194120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).