5-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

C8H13F3N2S2 — CID 106431784

IUPAC5-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CN=C(NCCSC(F)(F)F)S1
InChIInChI=1S/C8H13F3N2S2/c1-2-6-5-13-7(15-6)12-3-4-14-8(9,10)11/h6H,2-5H2,1H3,(H,12,13)
InChIKeyVHLFAYHAPIGUQX-UHFFFAOYSA-N
MW258.33 g/mol
LogP2.71
Rot. Bonds4

About 5-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

5-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106431784) has the molecular formula C8H13F3N2S2 and a molecular weight of 258.33 g/mol. Its IUPAC name is 5-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106431784
Molecular FormulaC8H13F3N2S2
Molecular Weight258.33 g/mol
Exact Mass258.05
IUPAC Name5-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CN=C(NCCSC(F)(F)F)S1
InChIInChI=1S/C8H13F3N2S2/c1-2-6-5-13-7(15-6)12-3-4-14-8(9,10)11/h6H,2-5H2,1H3,(H,12,13)
InChIKeyVHLFAYHAPIGUQX-UHFFFAOYSA-N
XLogP2.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 52.71
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 5-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 106431784) is 5-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is CCC1CN=C(NCCSC(F)(F)F)S1.
What is the InChIKey of 5-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is VHLFAYHAPIGUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2S2/c1-2-6-5-13-7(15-6)12-3-4-14-8(9,10)11/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of 5-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 258.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106431784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).