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

C11H10BrFN2S — CID 79400620

IUPAC4-bromo-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine
SMILESCC(Nc1nc(Br)cs1)c1ccccc1F
InChIInChI=1S/C11H10BrFN2S/c1-7(8-4-2-3-5-9(8)13)14-11-15-10(12)6-16-11/h2-7H,1H3,(H,14,15)
InChIKeyTTZJMEPPMJFGPP-UHFFFAOYSA-N
MW301.18 g/mol
LogP4.22
Rot. Bonds3

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

4-bromo-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine (PubChem CID 79400620) has the molecular formula C11H10BrFN2S and a molecular weight of 301.18 g/mol. Its IUPAC name is 4-bromo-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine
PubChem CID79400620
Molecular FormulaC11H10BrFN2S
Molecular Weight301.18 g/mol
Exact Mass299.97
IUPAC Name4-bromo-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine
SMILESCC(Nc1nc(Br)cs1)c1ccccc1F
InChIInChI=1S/C11H10BrFN2S/c1-7(8-4-2-3-5-9(8)13)14-11-15-10(12)6-16-11/h2-7H,1H3,(H,14,15)
InChIKeyTTZJMEPPMJFGPP-UHFFFAOYSA-N
XLogP4.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine
CID 114051650
2-bromo-6-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 107598513
2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893
N-[(1R)-1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 94222755
5-bromo-6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine
CID 114050357
N-[1-(2-aminophenyl)ethyl]-4-ethyl-1,3-thiazol-2-amine
CID 55152929
2-(1-aminoethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81377841
(1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 81379784
3-[1-[(4-bromo-1,3-thiazol-2-yl)amino]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137262461
6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine
CID 63586892
2-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-ol
CID 136501043
(1R)-1-(2-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81379728

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine (CID 79400620) is 4-bromo-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine is CC(Nc1nc(Br)cs1)c1ccccc1F.
What is the InChIKey of 4-bromo-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is TTZJMEPPMJFGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2S/c1-7(8-4-2-3-5-9(8)13)14-11-15-10(12)6-16-11/h2-7H,1H3,(H,14,15).
What are the key properties of 4-bromo-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine?
4-bromo-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 301.18 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79400620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).