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

C13H14Br2N2OS — CID 103411305

IUPAC2,4-dibromo-5-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCOc1cc(NC(C)c2scnc2C)c(Br)cc1Br
InChIInChI=1S/C13H14Br2N2OS/c1-7-13(19-6-16-7)8(2)17-11-5-12(18-3)10(15)4-9(11)14/h4-6,8,17H,1-3H3
InChIKeyHNFWFXUTJBJDGY-UHFFFAOYSA-N
MW406.14 g/mol
LogP5.16
Rot. Bonds4

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

2,4-dibromo-5-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (PubChem CID 103411305) has the molecular formula C13H14Br2N2OS and a molecular weight of 406.14 g/mol. Its IUPAC name is 2,4-dibromo-5-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name2,4-dibromo-5-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
PubChem CID103411305
Molecular FormulaC13H14Br2N2OS
Molecular Weight406.14 g/mol
Exact Mass403.92
IUPAC Name2,4-dibromo-5-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCOc1cc(NC(C)c2scnc2C)c(Br)cc1Br
InChIInChI=1S/C13H14Br2N2OS/c1-7-13(19-6-16-7)8(2)17-11-5-12(18-3)10(15)4-9(11)14/h4-6,8,17H,1-3H3
InChIKeyHNFWFXUTJBJDGY-UHFFFAOYSA-N
XLogP5.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.14
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide
CID 43789045
5-bromo-2-iodo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 114259232
2,4,5-trichloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43759104
2,4-dibromo-5-methoxy-N-(1-phenylethyl)aniline
CID 103412044
4-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline
CID 43779859
2,4-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43755779
2,4-difluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43763933
2-chloro-5-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 103936659
2-[1-(2,4-dibromo-5-methoxyanilino)ethyl]-4-methylphenol
CID 103411618
4-bromo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-nitroaniline
CID 43791229
2-bromo-6-chloro-4-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 107610172
2,4-dibromo-N-[1-(3,4-difluorophenyl)ethyl]-5-methoxyaniline
CID 103411093

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-5-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The IUPAC name of 2,4-dibromo-5-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (CID 103411305) is 2,4-dibromo-5-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 2,4-dibromo-5-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The canonical SMILES for 2,4-dibromo-5-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline is COc1cc(NC(C)c2scnc2C)c(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-5-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The InChIKey is HNFWFXUTJBJDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2OS/c1-7-13(19-6-16-7)8(2)17-11-5-12(18-3)10(15)4-9(11)14/h4-6,8,17H,1-3H3.
What are the key properties of 2,4-dibromo-5-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
2,4-dibromo-5-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline has a molecular weight of 406.14 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-5-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 103411305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).