N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-3,3,3-trifluoropropan-1-amine

C8H10BrF3N2S — CID 115770120

IUPACN-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-3,3,3-trifluoropropan-1-amine
SMILESCC(NCCC(F)(F)F)c1ncc(Br)s1
InChIInChI=1S/C8H10BrF3N2S/c1-5(7-14-4-6(9)15-7)13-3-2-8(10,11)12/h4-5,13H,2-3H2,1H3
InChIKeyOGZJKNUNMQVXAU-UHFFFAOYSA-N
MW303.15 g/mol
LogP3.51
Rot. Bonds4

About N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-3,3,3-trifluoropropan-1-amine

N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 115770120) has the molecular formula C8H10BrF3N2S and a molecular weight of 303.15 g/mol. Its IUPAC name is N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-3,3,3-trifluoropropan-1-amine
PubChem CID115770120
Molecular FormulaC8H10BrF3N2S
Molecular Weight303.15 g/mol
Exact Mass301.97
IUPAC NameN-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-3,3,3-trifluoropropan-1-amine
SMILESCC(NCCC(F)(F)F)c1ncc(Br)s1
InChIInChI=1S/C8H10BrF3N2S/c1-5(7-14-4-6(9)15-7)13-3-2-8(10,11)12/h4-5,13H,2-3H2,1H3
InChIKeyOGZJKNUNMQVXAU-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-3,3,3-trifluoropropan-1-amine (CID 115770120) is N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-3,3,3-trifluoropropan-1-amine is CC(NCCC(F)(F)F)c1ncc(Br)s1.
What is the InChIKey of N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is OGZJKNUNMQVXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF3N2S/c1-5(7-14-4-6(9)15-7)13-3-2-8(10,11)12/h4-5,13H,2-3H2,1H3.
What are the key properties of N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-3,3,3-trifluoropropan-1-amine?
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 303.15 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 115770120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).