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

C12H11BrCl2N2S — CID 43670284

IUPAC4-bromo-2,6-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
SMILESCc1nc(C(C)Nc2c(Cl)cc(Br)cc2Cl)cs1
InChIInChI=1S/C12H11BrCl2N2S/c1-6(11-5-18-7(2)17-11)16-12-9(14)3-8(13)4-10(12)15/h3-6,16H,1-2H3
InChIKeyBKHYGSRXHOJRFT-UHFFFAOYSA-N
MW366.11 g/mol
LogP5.69
Rot. Bonds3

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

4-bromo-2,6-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline (PubChem CID 43670284) has the molecular formula C12H11BrCl2N2S and a molecular weight of 366.11 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
PubChem CID43670284
Molecular FormulaC12H11BrCl2N2S
Molecular Weight366.11 g/mol
Exact Mass363.92
IUPAC Name4-bromo-2,6-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
SMILESCc1nc(C(C)Nc2c(Cl)cc(Br)cc2Cl)cs1
InChIInChI=1S/C12H11BrCl2N2S/c1-6(11-5-18-7(2)17-11)16-12-9(14)3-8(13)4-10(12)15/h3-6,16H,1-2H3
InChIKeyBKHYGSRXHOJRFT-UHFFFAOYSA-N
XLogP5.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.11
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670072
2-chloro-6-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 66252412
4-bromo-2,6-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
CID 63750764
6-chloro-8-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-5-amine
CID 43674677
2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670029
4-bromo-2,6-dichloro-N-[1-(3,4-dichlorophenyl)ethyl]aniline
CID 63425757
3,5-dichloro-4-(difluoromethoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 60935520
4-bromo-1-N,1-N-dimethyl-2-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine
CID 43746306
2-bromo-5-fluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 107633286
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-5-amine
CID 107588200
4-bromo-2,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
CID 43126565
4-bromo-N-[1-(4-bromophenyl)ethyl]-2,6-dichloroaniline
CID 43126639

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline (CID 43670284) is 4-bromo-2,6-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline is Cc1nc(C(C)Nc2c(Cl)cc(Br)cc2Cl)cs1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The InChIKey is BKHYGSRXHOJRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrCl2N2S/c1-6(11-5-18-7(2)17-11)16-12-9(14)3-8(13)4-10(12)15/h3-6,16H,1-2H3.
What are the key properties of 4-bromo-2,6-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
4-bromo-2,6-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline has a molecular weight of 366.11 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline is sourced from PubChem (CID 43670284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).