3-bromo-2-(1,3-thiazol-5-ylmethoxy)aniline

C10H9BrN2OS — CID 112640206

IUPAC3-bromo-2-(1,3-thiazol-5-ylmethoxy)aniline
SMILESNc1cccc(Br)c1OCc1cncs1
InChIInChI=1S/C10H9BrN2OS/c11-8-2-1-3-9(12)10(8)14-5-7-4-13-6-15-7/h1-4,6H,5,12H2
InChIKeyXDTRCTAOIMUJDO-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.07
Rot. Bonds3

About 3-bromo-2-(1,3-thiazol-5-ylmethoxy)aniline

3-bromo-2-(1,3-thiazol-5-ylmethoxy)aniline (PubChem CID 112640206) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is 3-bromo-2-(1,3-thiazol-5-ylmethoxy)aniline.

Molecular Properties

Compound Name3-bromo-2-(1,3-thiazol-5-ylmethoxy)aniline
PubChem CID112640206
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name3-bromo-2-(1,3-thiazol-5-ylmethoxy)aniline
SMILESNc1cccc(Br)c1OCc1cncs1
InChIInChI=1S/C10H9BrN2OS/c11-8-2-1-3-9(12)10(8)14-5-7-4-13-6-15-7/h1-4,6H,5,12H2
InChIKeyXDTRCTAOIMUJDO-UHFFFAOYSA-N
XLogP3.07
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-2-(1,3-thiazol-5-ylmethoxy)benzoic acid
CID 112640727
(E)-3-[3-bromo-2-(1,3-thiazol-5-ylmethoxy)phenyl]prop-2-enoic acid
CID 112641183
2-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 107739564
1-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine
CID 107739833
5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3-thiazole
CID 112641170
3,5-dichloro-4-(1,3-thiazol-5-ylmethoxy)aniline
CID 112640173
2-methyl-4-(1,3-thiazol-5-ylmethoxy)aniline
CID 112640166
4-[(2-amino-6-bromophenoxy)methyl]phenol
CID 81499279
5-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]-1,3-thiazole
CID 112641131
2-[3-bromo-5-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 112643588
5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole
CID 112640679
1,3-thiazol-5-ylmethyl 3-amino-2-methylbenzoate
CID 112643721

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(1,3-thiazol-5-ylmethoxy)aniline?
The IUPAC name of 3-bromo-2-(1,3-thiazol-5-ylmethoxy)aniline (CID 112640206) is 3-bromo-2-(1,3-thiazol-5-ylmethoxy)aniline.
What is the SMILES notation for 3-bromo-2-(1,3-thiazol-5-ylmethoxy)aniline?
The canonical SMILES for 3-bromo-2-(1,3-thiazol-5-ylmethoxy)aniline is Nc1cccc(Br)c1OCc1cncs1.
What is the InChIKey of 3-bromo-2-(1,3-thiazol-5-ylmethoxy)aniline?
The InChIKey is XDTRCTAOIMUJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c11-8-2-1-3-9(12)10(8)14-5-7-4-13-6-15-7/h1-4,6H,5,12H2.
What are the key properties of 3-bromo-2-(1,3-thiazol-5-ylmethoxy)aniline?
3-bromo-2-(1,3-thiazol-5-ylmethoxy)aniline has a molecular weight of 285.17 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(1,3-thiazol-5-ylmethoxy)aniline is sourced from PubChem (CID 112640206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).