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

C14H17BrN2S — CID 60726588

IUPAC1-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCc1nc(CNC(C)c2ccc(Br)cc2)cs1
InChIInChI=1S/C14H17BrN2S/c1-3-14-17-13(9-18-14)8-16-10(2)11-4-6-12(15)7-5-11/h4-7,9-10,16H,3,8H2,1-2H3
InChIKeyCUKLTNCUXZHJSD-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.32
Rot. Bonds5

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

1-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 60726588) has the molecular formula C14H17BrN2S and a molecular weight of 325.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID60726588
Molecular FormulaC14H17BrN2S
Molecular Weight325.28 g/mol
Exact Mass324.03
IUPAC Name1-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCc1nc(CNC(C)c2ccc(Br)cc2)cs1
InChIInChI=1S/C14H17BrN2S/c1-3-14-17-13(9-18-14)8-16-10(2)11-4-6-12(15)7-5-11/h4-7,9-10,16H,3,8H2,1-2H3
InChIKeyCUKLTNCUXZHJSD-UHFFFAOYSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81409765
N-[4-[(1R)-1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]propanamide
CID 95180705
(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 95180733
(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365728
(1R)-1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78921782
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentan-3-amine
CID 60727178
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 62070996
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 112697003
1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 60658167
1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43178958
1-(4-bromophenyl)-N-[(5-bromothiophen-3-yl)methyl]ethanamine
CID 60760516
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylpentan-1-ol
CID 115644894

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine (CID 60726588) is 1-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine is CCc1nc(CNC(C)c2ccc(Br)cc2)cs1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is CUKLTNCUXZHJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-3-14-17-13(9-18-14)8-16-10(2)11-4-6-12(15)7-5-11/h4-7,9-10,16H,3,8H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine?
1-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 325.28 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 60726588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).