1-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine

C13H15BrN2OS — CID 116888189

IUPAC1-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCOc1ccc(-c2nc(CC(C)N)cs2)cc1Br
InChIInChI=1S/C13H15BrN2OS/c1-8(15)5-10-7-18-13(16-10)9-3-4-12(17-2)11(14)6-9/h3-4,6-8H,5,15H2,1-2H3
InChIKeyWXTDYQMOASMPMH-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.47
Rot. Bonds4

About 1-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine

1-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine (PubChem CID 116888189) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is 1-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
PubChem CID116888189
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC Name1-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCOc1ccc(-c2nc(CC(C)N)cs2)cc1Br
InChIInChI=1S/C13H15BrN2OS/c1-8(15)5-10-7-18-13(16-10)9-3-4-12(17-2)11(14)6-9/h3-4,6-8H,5,15H2,1-2H3
InChIKeyWXTDYQMOASMPMH-UHFFFAOYSA-N
XLogP3.47
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-4-(2-chloroethyl)-1,3-thiazole
CID 116888995
1-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 106950862
1-(2-naphthalen-2-yl-1,3-thiazol-4-yl)propan-2-amine
CID 116888207
2-(3-bromo-4-methoxyphenyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 106951192
1-[2-(3-bromo-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61280524
N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60640937
4-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 106950836
1-[2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888197
2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 112692422
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888202
4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 746809
[2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 106951176

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine?
The IUPAC name of 1-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine (CID 116888189) is 1-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine is COc1ccc(-c2nc(CC(C)N)cs2)cc1Br.
What is the InChIKey of 1-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine?
The InChIKey is WXTDYQMOASMPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c1-8(15)5-10-7-18-13(16-10)9-3-4-12(17-2)11(14)6-9/h3-4,6-8H,5,15H2,1-2H3.
What are the key properties of 1-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine?
1-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine has a molecular weight of 327.25 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine is sourced from PubChem (CID 116888189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).