5-propyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine

C9H14F4N2S — CID 106294917

IUPAC5-propyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC1CN=C(NCC(F)(F)C(F)F)S1
InChIInChI=1S/C9H14F4N2S/c1-2-3-6-4-14-8(16-6)15-5-9(12,13)7(10)11/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyTXMZJQXVJCHQCA-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.75
Rot. Bonds5

About 5-propyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine

5-propyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106294917) has the molecular formula C9H14F4N2S and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-propyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-propyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106294917
Molecular FormulaC9H14F4N2S
Molecular Weight258.28 g/mol
Exact Mass258.08
IUPAC Name5-propyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC1CN=C(NCC(F)(F)C(F)F)S1
InChIInChI=1S/C9H14F4N2S/c1-2-3-6-4-14-8(16-6)15-5-9(12,13)7(10)11/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyTXMZJQXVJCHQCA-UHFFFAOYSA-N
XLogP2.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-propyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 106294917) is 5-propyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-propyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-propyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine is CCCC1CN=C(NCC(F)(F)C(F)F)S1.
What is the InChIKey of 5-propyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is TXMZJQXVJCHQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4N2S/c1-2-3-6-4-14-8(16-6)15-5-9(12,13)7(10)11/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of 5-propyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-propyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 258.28 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106294917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).