2,6-dibromo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline

C12H12Br2N2S — CID 107597040

IUPAC2,6-dibromo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1ncsc1C(C)Nc1c(Br)cccc1Br
InChIInChI=1S/C12H12Br2N2S/c1-7-12(17-6-15-7)8(2)16-11-9(13)4-3-5-10(11)14/h3-6,8,16H,1-2H3
InChIKeyNVDYBFHMZYUXIW-UHFFFAOYSA-N
MW376.12 g/mol
LogP5.15
Rot. Bonds3

About 2,6-dibromo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline

2,6-dibromo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (PubChem CID 107597040) has the molecular formula C12H12Br2N2S and a molecular weight of 376.12 g/mol. Its IUPAC name is 2,6-dibromo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name2,6-dibromo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
PubChem CID107597040
Molecular FormulaC12H12Br2N2S
Molecular Weight376.12 g/mol
Exact Mass373.91
IUPAC Name2,6-dibromo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1ncsc1C(C)Nc1c(Br)cccc1Br
InChIInChI=1S/C12H12Br2N2S/c1-7-12(17-6-15-7)8(2)16-11-9(13)4-3-5-10(11)14/h3-6,8,16H,1-2H3
InChIKeyNVDYBFHMZYUXIW-UHFFFAOYSA-N
XLogP5.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.12
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43756143
2-bromo-6-chloro-4-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 107610172
5-bromo-2-iodo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 114259232
3-N,3-N-dimethyl-1-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]benzene-1,3-diamine
CID 115376388
4-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43762336
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)aniline
CID 43760127
2,6-dichloro-4-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 83076710
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethylsulfanyl)aniline
CID 43786006
3-methylsulfanyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43757342
2,4-dibromo-5-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 103411305
6-chloro-8-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]quinolin-5-amine
CID 43779310
2,4-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43755779

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The IUPAC name of 2,6-dibromo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (CID 107597040) is 2,6-dibromo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 2,6-dibromo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The canonical SMILES for 2,6-dibromo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline is Cc1ncsc1C(C)Nc1c(Br)cccc1Br.
What is the InChIKey of 2,6-dibromo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The InChIKey is NVDYBFHMZYUXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2S/c1-7-12(17-6-15-7)8(2)16-11-9(13)4-3-5-10(11)14/h3-6,8,16H,1-2H3.
What are the key properties of 2,6-dibromo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
2,6-dibromo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline has a molecular weight of 376.12 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 107597040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).