4-(3,3,3-trifluoropropoxymethyl)thiadiazol-5-amine

C6H8F3N3OS — CID 82959325

IUPAC4-(3,3,3-trifluoropropoxymethyl)thiadiazol-5-amine
SMILESNc1snnc1COCCC(F)(F)F
InChIInChI=1S/C6H8F3N3OS/c7-6(8,9)1-2-13-3-4-5(10)14-12-11-4/h1-3,10H2
InChIKeyUGSYUEPTROSIDL-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.59
Rot. Bonds4

About 4-(3,3,3-trifluoropropoxymethyl)thiadiazol-5-amine

4-(3,3,3-trifluoropropoxymethyl)thiadiazol-5-amine (PubChem CID 82959325) has the molecular formula C6H8F3N3OS and a molecular weight of 227.21 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropoxymethyl)thiadiazol-5-amine.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropoxymethyl)thiadiazol-5-amine
PubChem CID82959325
Molecular FormulaC6H8F3N3OS
Molecular Weight227.21 g/mol
Exact Mass227.03
IUPAC Name4-(3,3,3-trifluoropropoxymethyl)thiadiazol-5-amine
SMILESNc1snnc1COCCC(F)(F)F
InChIInChI=1S/C6H8F3N3OS/c7-6(8,9)1-2-13-3-4-5(10)14-12-11-4/h1-3,10H2
InChIKeyUGSYUEPTROSIDL-UHFFFAOYSA-N
XLogP1.59
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.59
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-(3,3,3-trifluoropropoxymethyl)thiadiazol-5-amine?
The IUPAC name of 4-(3,3,3-trifluoropropoxymethyl)thiadiazol-5-amine (CID 82959325) is 4-(3,3,3-trifluoropropoxymethyl)thiadiazol-5-amine.
What is the SMILES notation for 4-(3,3,3-trifluoropropoxymethyl)thiadiazol-5-amine?
The canonical SMILES for 4-(3,3,3-trifluoropropoxymethyl)thiadiazol-5-amine is Nc1snnc1COCCC(F)(F)F.
What is the InChIKey of 4-(3,3,3-trifluoropropoxymethyl)thiadiazol-5-amine?
The InChIKey is UGSYUEPTROSIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3OS/c7-6(8,9)1-2-13-3-4-5(10)14-12-11-4/h1-3,10H2.
What are the key properties of 4-(3,3,3-trifluoropropoxymethyl)thiadiazol-5-amine?
4-(3,3,3-trifluoropropoxymethyl)thiadiazol-5-amine has a molecular weight of 227.21 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropoxymethyl)thiadiazol-5-amine is sourced from PubChem (CID 82959325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).