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

C12H13BrN2S — CID 62069570

IUPAC4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1ncsc1CCNc1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2S/c1-9-12(16-8-15-9)6-7-14-11-4-2-10(13)3-5-11/h2-5,8,14H,6-7H2,1H3
InChIKeyNJMAROYXTYPPAB-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.87
Rot. Bonds4

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

4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (PubChem CID 62069570) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
PubChem CID62069570
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC Name4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1ncsc1CCNc1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2S/c1-9-12(16-8-15-9)6-7-14-11-4-2-10(13)3-5-11/h2-5,8,14H,6-7H2,1H3
InChIKeyNJMAROYXTYPPAB-UHFFFAOYSA-N
XLogP3.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-phenylaniline
CID 62253869
3,4-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62071151
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 62070801
4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110718390
3,4,5-trifluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62809929
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline
CID 62071321
4-bromo-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82124919
N-[(3-bromophenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 62070812
(1R)-1-(3-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81381393
2-(difluoromethylsulfanyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 55034725
2,3,5-trifluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62809050
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-phenylaniline
CID 62070632

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The IUPAC name of 4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (CID 62069570) is 4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The canonical SMILES for 4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline is Cc1ncsc1CCNc1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The InChIKey is NJMAROYXTYPPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-9-12(16-8-15-9)6-7-14-11-4-2-10(13)3-5-11/h2-5,8,14H,6-7H2,1H3.
What are the key properties of 4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline has a molecular weight of 297.22 g/mol, XLogP of 3.87, 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-methyl-1,3-thiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 62069570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).