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

C6H6BrF3N2S2 — CID 106431060

IUPAC4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)SCCNc1nc(Br)cs1
InChIInChI=1S/C6H6BrF3N2S2/c7-4-3-13-5(12-4)11-1-2-14-6(8,9)10/h3H,1-2H2,(H,11,12)
InChIKeyQJUUUMJJHCRARX-UHFFFAOYSA-N
MW307.16 g/mol
LogP3.57
Rot. Bonds4

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

4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine (PubChem CID 106431060) has the molecular formula C6H6BrF3N2S2 and a molecular weight of 307.16 g/mol. Its IUPAC name is 4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine
PubChem CID106431060
Molecular FormulaC6H6BrF3N2S2
Molecular Weight307.16 g/mol
Exact Mass305.91
IUPAC Name4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)SCCNc1nc(Br)cs1
InChIInChI=1S/C6H6BrF3N2S2/c7-4-3-13-5(12-4)11-1-2-14-6(8,9)10/h3H,1-2H2,(H,11,12)
InChIKeyQJUUUMJJHCRARX-UHFFFAOYSA-N
XLogP3.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 53.57
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 4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine (CID 106431060) is 4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine is FC(F)(F)SCCNc1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is QJUUUMJJHCRARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF3N2S2/c7-4-3-13-5(12-4)11-1-2-14-6(8,9)10/h3H,1-2H2,(H,11,12).
What are the key properties of 4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine?
4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 307.16 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 106431060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).