1-(3-bromophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine

C15H19BrN2S — CID 43673199

IUPAC1-(3-bromophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(C(C)NC(C)c2cccc(Br)c2)c(C)s1
InChIInChI=1S/C15H19BrN2S/c1-9(13-6-5-7-14(16)8-13)17-10(2)15-11(3)19-12(4)18-15/h5-10,17H,1-4H3
InChIKeyHODHKPKBHCDGLF-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.93
Rot. Bonds4

About 1-(3-bromophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine

1-(3-bromophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine (PubChem CID 43673199) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
PubChem CID43673199
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC Name1-(3-bromophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(C(C)NC(C)c2cccc(Br)c2)c(C)s1
InChIInChI=1S/C15H19BrN2S/c1-9(13-6-5-7-14(16)8-13)17-10(2)15-11(3)19-12(4)18-15/h5-10,17H,1-4H3
InChIKeyHODHKPKBHCDGLF-UHFFFAOYSA-N
XLogP4.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-chlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81366225
(1S)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81365478
1-(3,4-dichlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 43109283
(1R)-1-(4-chlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81352886
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 43535437
N-[(1R)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81382148
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81381061
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylaniline
CID 43100230
(1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(3-bromophenyl)ethanamine
CID 104982875
3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol
CID 43673297
1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 43203219
(1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 81372236

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The IUPAC name of 1-(3-bromophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine (CID 43673199) is 1-(3-bromophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine is Cc1nc(C(C)NC(C)c2cccc(Br)c2)c(C)s1.
What is the InChIKey of 1-(3-bromophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The InChIKey is HODHKPKBHCDGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-9(13-6-5-7-14(16)8-13)17-10(2)15-11(3)19-12(4)18-15/h5-10,17H,1-4H3.
What are the key properties of 1-(3-bromophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine?
1-(3-bromophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine has a molecular weight of 339.30 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 43673199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).