4-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C7H8BrF3N2S — CID 79398922

IUPAC4-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCN(CC(F)(F)F)c1nc(Br)cs1
InChIInChI=1S/C7H8BrF3N2S/c1-2-13(4-7(9,10)11)6-12-5(8)3-14-6/h3H,2,4H2,1H3
InChIKeyCJWAUTOTFALNME-UHFFFAOYSA-N
MW289.12 g/mol
LogP3.29
Rot. Bonds3

About 4-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

4-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 79398922) has the molecular formula C7H8BrF3N2S and a molecular weight of 289.12 g/mol. Its IUPAC name is 4-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID79398922
Molecular FormulaC7H8BrF3N2S
Molecular Weight289.12 g/mol
Exact Mass287.95
IUPAC Name4-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCN(CC(F)(F)F)c1nc(Br)cs1
InChIInChI=1S/C7H8BrF3N2S/c1-2-13(4-7(9,10)11)6-12-5(8)3-14-6/h3H,2,4H2,1H3
InChIKeyCJWAUTOTFALNME-UHFFFAOYSA-N
XLogP3.29
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 79398922) is 4-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCN(CC(F)(F)F)c1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is CJWAUTOTFALNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF3N2S/c1-2-13(4-7(9,10)11)6-12-5(8)3-14-6/h3H,2,4H2,1H3.
What are the key properties of 4-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 289.12 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79398922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).