(1R)-1-(4-bromophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine

C13H15BrN2S — CID 114985837

IUPAC(1R)-1-(4-bromophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCC(N[C@H](C)c1ccc(Br)cc1)c1cncs1
InChIInChI=1S/C13H15BrN2S/c1-9(11-3-5-12(14)6-4-11)16-10(2)13-7-15-8-17-13/h3-10,16H,1-2H3/t9-,10?/m1/s1
InChIKeyAOXWPQRDOVDTPS-YHMJZVADSA-N
MW311.25 g/mol
LogP4.32
Rot. Bonds4

About (1R)-1-(4-bromophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine

(1R)-1-(4-bromophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine (PubChem CID 114985837) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
PubChem CID114985837
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name(1R)-1-(4-bromophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCC(N[C@H](C)c1ccc(Br)cc1)c1cncs1
InChIInChI=1S/C13H15BrN2S/c1-9(11-3-5-12(14)6-4-11)16-10(2)13-7-15-8-17-13/h3-10,16H,1-2H3/t9-,10?/m1/s1
InChIKeyAOXWPQRDOVDTPS-YHMJZVADSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
(1R)-1-(2-bromophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 103906295
(1R)-1-(3-fluorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 113486927
1-(3-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 113260329
N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43712840
1-(4-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79690838
(1S)-1-(4-bromophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 81360088
(1R)-1-(furan-2-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 104865982
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 81355164
1-(4-bromophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine
CID 103779508
1-(2,4-dimethylphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 115710628
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81354443

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(4-bromophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine (CID 114985837) is (1R)-1-(4-bromophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-bromophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(4-bromophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine is CC(N[C@H](C)c1ccc(Br)cc1)c1cncs1.
What is the InChIKey of (1R)-1-(4-bromophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine?
The InChIKey is AOXWPQRDOVDTPS-YHMJZVADSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-9(11-3-5-12(14)6-4-11)16-10(2)13-7-15-8-17-13/h3-10,16H,1-2H3/t9-,10?/m1/s1.
What are the key properties of (1R)-1-(4-bromophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine?
(1R)-1-(4-bromophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine has a molecular weight of 311.25 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 114985837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).