2-[2-(5-bromofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine

C10H11BrN2OS — CID 115089119

IUPAC2-[2-(5-bromofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCNCCc1csc(-c2ccc(Br)o2)n1
InChIInChI=1S/C10H11BrN2OS/c1-12-5-4-7-6-15-10(13-7)8-2-3-9(11)14-8/h2-3,6,12H,4-5H2,1H3
InChIKeySSOIYMLAGQLEET-UHFFFAOYSA-N
MW287.18 g/mol
LogP2.93
Rot. Bonds4

About 2-[2-(5-bromofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine

2-[2-(5-bromofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine (PubChem CID 115089119) has the molecular formula C10H11BrN2OS and a molecular weight of 287.18 g/mol. Its IUPAC name is 2-[2-(5-bromofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(5-bromofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
PubChem CID115089119
Molecular FormulaC10H11BrN2OS
Molecular Weight287.18 g/mol
Exact Mass285.98
IUPAC Name2-[2-(5-bromofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCNCCc1csc(-c2ccc(Br)o2)n1
InChIInChI=1S/C10H11BrN2OS/c1-12-5-4-7-6-15-10(13-7)8-2-3-9(11)14-8/h2-3,6,12H,4-5H2,1H3
InChIKeySSOIYMLAGQLEET-UHFFFAOYSA-N
XLogP2.93
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 115089115
3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
CID 115089135
2-[2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888139
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanethiol
CID 116889582
N-methyl-2-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 115089122
2-(5-bromofuran-2-yl)-1,3-thiazole-4-carbaldehyde
CID 60998358
2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888128
2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888140
2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 114275577
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888129
2-[2-(5-bromofuran-2-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 115089098
ethyl 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carboxylate
CID 115280369

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
The IUPAC name of 2-[2-(5-bromofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine (CID 115089119) is 2-[2-(5-bromofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[2-(5-bromofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[2-(5-bromofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine is CNCCc1csc(-c2ccc(Br)o2)n1.
What is the InChIKey of 2-[2-(5-bromofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
The InChIKey is SSOIYMLAGQLEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2OS/c1-12-5-4-7-6-15-10(13-7)8-2-3-9(11)14-8/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 2-[2-(5-bromofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
2-[2-(5-bromofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine has a molecular weight of 287.18 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 115089119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).