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

C13H15BrN2S — CID 82124919

IUPAC4-bromo-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline
SMILESCc1nc(CCNc2ccc(Br)cc2)sc1C
InChIInChI=1S/C13H15BrN2S/c1-9-10(2)17-13(16-9)7-8-15-12-5-3-11(14)4-6-12/h3-6,15H,7-8H2,1-2H3
InChIKeyYWDMYDMWXJRIPR-UHFFFAOYSA-N
MW311.25 g/mol
LogP4.18
Rot. Bonds4

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

4-bromo-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline (PubChem CID 82124919) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 4-bromo-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline
PubChem CID82124919
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name4-bromo-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline
SMILESCc1nc(CCNc2ccc(Br)cc2)sc1C
InChIInChI=1S/C13H15BrN2S/c1-9-10(2)17-13(16-9)7-8-15-12-5-3-11(14)4-6-12/h3-6,15H,7-8H2,1-2H3
InChIKeyYWDMYDMWXJRIPR-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluoroaniline
CID 82119304
N-[2-(6-bromo-1,3-benzothiazol-2-yl)ethyl]-4-methylaniline
CID 79533516
4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62069570
[1-(4-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105192292
3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 82102705
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-methylphenyl)methyl]ethanamine
CID 82102878
2-[2-(2-bromophenyl)ethyl]-4,5-dimethyl-1,3-thiazole
CID 82490061
1-(4-bromo-2-chlorophenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-methylurea
CID 99815165
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methylquinolin-4-amine
CID 133369314
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-methylbutan-2-amine
CID 115729046
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133404655
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluorobenzamide
CID 110739449

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline?
The IUPAC name of 4-bromo-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline (CID 82124919) is 4-bromo-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 4-bromo-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline?
The canonical SMILES for 4-bromo-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline is Cc1nc(CCNc2ccc(Br)cc2)sc1C.
What is the InChIKey of 4-bromo-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline?
The InChIKey is YWDMYDMWXJRIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-9-10(2)17-13(16-9)7-8-15-12-5-3-11(14)4-6-12/h3-6,15H,7-8H2,1-2H3.
What are the key properties of 4-bromo-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline?
4-bromo-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline has a molecular weight of 311.25 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 82124919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).