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

C12H13BrN2S — CID 82124615

IUPAC2-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCc1ccc(NCCc2nccs2)c(Br)c1
InChIInChI=1S/C12H13BrN2S/c1-9-2-3-11(10(13)8-9)14-5-4-12-15-6-7-16-12/h2-3,6-8,14H,4-5H2,1H3
InChIKeyRLWRAZMSCUICIC-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.87
Rot. Bonds4

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

2-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline (PubChem CID 82124615) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is 2-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
PubChem CID82124615
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC Name2-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCc1ccc(NCCc2nccs2)c(Br)c1
InChIInChI=1S/C12H13BrN2S/c1-9-2-3-11(10(13)8-9)14-5-4-12-15-6-7-16-12/h2-3,6-8,14H,4-5H2,1H3
InChIKeyRLWRAZMSCUICIC-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

2,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 82116058
5-methyl-2-[2-(1,3-thiazol-2-yl)ethylamino]benzenecarbothioamide
CID 114017092
5-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 115774025
6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79142765
2-bromo-N-[(3-bromothiophen-2-yl)methyl]-4-methylaniline
CID 63490139
N-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-2-ylamino)acetamide
CID 110694148
2-bromo-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile
CID 114881026
1-(2,4-dimethylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 55174442
1-(2-bromo-5-methylphenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105014961
5-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657020
1-N-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 55218592
5-methyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2,3-diamine
CID 66278017

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline?
The IUPAC name of 2-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline (CID 82124615) is 2-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 2-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline?
The canonical SMILES for 2-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline is Cc1ccc(NCCc2nccs2)c(Br)c1.
What is the InChIKey of 2-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline?
The InChIKey is RLWRAZMSCUICIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-9-2-3-11(10(13)8-9)14-5-4-12-15-6-7-16-12/h2-3,6-8,14H,4-5H2,1H3.
What are the key properties of 2-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline?
2-bromo-4-methyl-N-[2-(1,3-thiazol-2-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 2-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 82124615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).