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

C8H10BrF3N2S — CID 79399535

IUPAC4-bromo-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCN(CC(F)(F)F)c1nc(Br)cs1
InChIInChI=1S/C8H10BrF3N2S/c1-2-3-14(5-8(10,11)12)7-13-6(9)4-15-7/h4H,2-3,5H2,1H3
InChIKeyODAYUHNWGMSDOP-UHFFFAOYSA-N
MW303.15 g/mol
LogP3.68
Rot. Bonds4

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

4-bromo-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 79399535) has the molecular formula C8H10BrF3N2S and a molecular weight of 303.15 g/mol. Its IUPAC name is 4-bromo-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID79399535
Molecular FormulaC8H10BrF3N2S
Molecular Weight303.15 g/mol
Exact Mass301.97
IUPAC Name4-bromo-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCN(CC(F)(F)F)c1nc(Br)cs1
InChIInChI=1S/C8H10BrF3N2S/c1-2-3-14(5-8(10,11)12)7-13-6(9)4-15-7/h4H,2-3,5H2,1H3
InChIKeyODAYUHNWGMSDOP-UHFFFAOYSA-N
XLogP3.68
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 79399535) is 4-bromo-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCCN(CC(F)(F)F)c1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is ODAYUHNWGMSDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF3N2S/c1-2-3-14(5-8(10,11)12)7-13-6(9)4-15-7/h4H,2-3,5H2,1H3.
What are the key properties of 4-bromo-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-bromo-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 303.15 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79399535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).