3,3,3-trifluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine

C6H8F3N3S — CID 63226512

IUPAC3,3,3-trifluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESFC(F)(F)CCNCc1csnn1
InChIInChI=1S/C6H8F3N3S/c7-6(8,9)1-2-10-3-5-4-13-12-11-5/h4,10H,1-3H2
InChIKeyJPZANSQSKGFNPZ-UHFFFAOYSA-N
MW211.21 g/mol
LogP1.58
Rot. Bonds4

About 3,3,3-trifluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine

3,3,3-trifluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine (PubChem CID 63226512) has the molecular formula C6H8F3N3S and a molecular weight of 211.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine
PubChem CID63226512
Molecular FormulaC6H8F3N3S
Molecular Weight211.21 g/mol
Exact Mass211.04
IUPAC Name3,3,3-trifluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESFC(F)(F)CCNCc1csnn1
InChIInChI=1S/C6H8F3N3S/c7-6(8,9)1-2-10-3-5-4-13-12-11-5/h4,10H,1-3H2
InChIKeyJPZANSQSKGFNPZ-UHFFFAOYSA-N
XLogP1.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3,3,3-trifluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine (CID 63226512) is 3,3,3-trifluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine is FC(F)(F)CCNCc1csnn1.
What is the InChIKey of 3,3,3-trifluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The InChIKey is JPZANSQSKGFNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3S/c7-6(8,9)1-2-10-3-5-4-13-12-11-5/h4,10H,1-3H2.
What are the key properties of 3,3,3-trifluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine?
3,3,3-trifluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine has a molecular weight of 211.21 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 63226512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).