2,4-dibromo-5-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline

C11H10Br2N2OS — CID 103412233

IUPAC2,4-dibromo-5-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCOc1cc(NCc2cscn2)c(Br)cc1Br
InChIInChI=1S/C11H10Br2N2OS/c1-16-11-3-10(8(12)2-9(11)13)14-4-7-5-17-6-15-7/h2-3,5-6,14H,4H2,1H3
InChIKeyGNANLELQZXPPQH-UHFFFAOYSA-N
MW378.09 g/mol
LogP4.29
Rot. Bonds4

About 2,4-dibromo-5-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline

2,4-dibromo-5-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 103412233) has the molecular formula C11H10Br2N2OS and a molecular weight of 378.09 g/mol. Its IUPAC name is 2,4-dibromo-5-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name2,4-dibromo-5-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID103412233
Molecular FormulaC11H10Br2N2OS
Molecular Weight378.09 g/mol
Exact Mass375.89
IUPAC Name2,4-dibromo-5-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCOc1cc(NCc2cscn2)c(Br)cc1Br
InChIInChI=1S/C11H10Br2N2OS/c1-16-11-3-10(8(12)2-9(11)13)14-4-7-5-17-6-15-7/h2-3,5-6,14H,4H2,1H3
InChIKeyGNANLELQZXPPQH-UHFFFAOYSA-N
XLogP4.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.09
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 115877205
5-bromo-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61223553
2-fluoro-4,5-dimethoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 84595025
2,4-dibromo-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-methoxyaniline
CID 103412256
5-tert-butyl-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60687872
2-bromo-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,4-diamine
CID 63830938
2,4-dibromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 103413115
2,4-dibromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-5-methoxyaniline
CID 103411374
4-chloro-3-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 107268113
2,4-dibromo-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-methoxyaniline
CID 103412784
3-bromo-5-chloro-2-ethoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61169650
2,4-dibromo-5-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]aniline
CID 103412284

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-5-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 2,4-dibromo-5-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline (CID 103412233) is 2,4-dibromo-5-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 2,4-dibromo-5-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 2,4-dibromo-5-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline is COc1cc(NCc2cscn2)c(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-5-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is GNANLELQZXPPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N2OS/c1-16-11-3-10(8(12)2-9(11)13)14-4-7-5-17-6-15-7/h2-3,5-6,14H,4H2,1H3.
What are the key properties of 2,4-dibromo-5-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline?
2,4-dibromo-5-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 378.09 g/mol, XLogP of 4.29, 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-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 103412233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).