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

C6H6BrF3N2S — CID 79400506

IUPAC4-bromo-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)CCNc1nc(Br)cs1
InChIInChI=1S/C6H6BrF3N2S/c7-4-3-13-5(12-4)11-2-1-6(8,9)10/h3H,1-2H2,(H,11,12)
InChIKeyKVMTUVAQLQZSNO-UHFFFAOYSA-N
MW275.09 g/mol
LogP3.27
Rot. Bonds3

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

4-bromo-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine (PubChem CID 79400506) has the molecular formula C6H6BrF3N2S and a molecular weight of 275.09 g/mol. Its IUPAC name is 4-bromo-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
PubChem CID79400506
Molecular FormulaC6H6BrF3N2S
Molecular Weight275.09 g/mol
Exact Mass273.94
IUPAC Name4-bromo-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)CCNc1nc(Br)cs1
InChIInChI=1S/C6H6BrF3N2S/c7-4-3-13-5(12-4)11-2-1-6(8,9)10/h3H,1-2H2,(H,11,12)
InChIKeyKVMTUVAQLQZSNO-UHFFFAOYSA-N
XLogP3.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine (CID 79400506) is 4-bromo-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine is FC(F)(F)CCNc1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine?
The InChIKey is KVMTUVAQLQZSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF3N2S/c7-4-3-13-5(12-4)11-2-1-6(8,9)10/h3H,1-2H2,(H,11,12).
What are the key properties of 4-bromo-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine?
4-bromo-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine has a molecular weight of 275.09 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79400506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).