3,3,3-trifluoro-N-(1,3-thiazol-5-ylmethyl)propan-1-amine

C7H9F3N2S — CID 63226466

IUPAC3,3,3-trifluoro-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
SMILESFC(F)(F)CCNCc1cncs1
InChIInChI=1S/C7H9F3N2S/c8-7(9,10)1-2-11-3-6-4-12-5-13-6/h4-5,11H,1-3H2
InChIKeyOUFORZDNTABXQK-UHFFFAOYSA-N
MW210.22 g/mol
LogP2.19
Rot. Bonds4

About 3,3,3-trifluoro-N-(1,3-thiazol-5-ylmethyl)propan-1-amine

3,3,3-trifluoro-N-(1,3-thiazol-5-ylmethyl)propan-1-amine (PubChem CID 63226466) has the molecular formula C7H9F3N2S and a molecular weight of 210.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(1,3-thiazol-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
PubChem CID63226466
Molecular FormulaC7H9F3N2S
Molecular Weight210.22 g/mol
Exact Mass210.04
IUPAC Name3,3,3-trifluoro-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
SMILESFC(F)(F)CCNCc1cncs1
InChIInChI=1S/C7H9F3N2S/c8-7(9,10)1-2-11-3-6-4-12-5-13-6/h4-5,11H,1-3H2
InChIKeyOUFORZDNTABXQK-UHFFFAOYSA-N
XLogP2.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1,3-thiazol-5-ylmethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-(1,3-thiazol-5-ylmethyl)propan-1-amine (CID 63226466) is 3,3,3-trifluoro-N-(1,3-thiazol-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-(1,3-thiazol-5-ylmethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-(1,3-thiazol-5-ylmethyl)propan-1-amine is FC(F)(F)CCNCc1cncs1.
What is the InChIKey of 3,3,3-trifluoro-N-(1,3-thiazol-5-ylmethyl)propan-1-amine?
The InChIKey is OUFORZDNTABXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2S/c8-7(9,10)1-2-11-3-6-4-12-5-13-6/h4-5,11H,1-3H2.
What are the key properties of 3,3,3-trifluoro-N-(1,3-thiazol-5-ylmethyl)propan-1-amine?
3,3,3-trifluoro-N-(1,3-thiazol-5-ylmethyl)propan-1-amine has a molecular weight of 210.22 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(1,3-thiazol-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 63226466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).