1-(5-bromofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine

C9H9BrN2OS — CID 131031441

IUPAC1-(5-bromofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESNC(Cc1cncs1)c1coc(Br)c1
InChIInChI=1S/C9H9BrN2OS/c10-9-1-6(4-13-9)8(11)2-7-3-12-5-14-7/h1,3-5,8H,2,11H2
InChIKeySWPVJDRPPADRPW-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.74
Rot. Bonds3

About 1-(5-bromofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine

1-(5-bromofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 131031441) has the molecular formula C9H9BrN2OS and a molecular weight of 273.16 g/mol. Its IUPAC name is 1-(5-bromofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID131031441
Molecular FormulaC9H9BrN2OS
Molecular Weight273.16 g/mol
Exact Mass271.96
IUPAC Name1-(5-bromofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESNC(Cc1cncs1)c1coc(Br)c1
InChIInChI=1S/C9H9BrN2OS/c10-9-1-6(4-13-9)8(11)2-7-3-12-5-14-7/h1,3-5,8H,2,11H2
InChIKeySWPVJDRPPADRPW-UHFFFAOYSA-N
XLogP2.74
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 112643573
1-(5-iodothiophen-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030806
1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642722
1-(3,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030712
1-(2-bromo-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 107994960
1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030337
1-(1,3-thiazol-5-yl)propan-2-amine
CID 60748054
1-(4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 131042710
2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 105030569
2-(1,3-thiazol-5-yl)-1-(2H-triazol-4-yl)ethanamine
CID 112643460
1-(4-methyl-1,3-thiazol-5-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177899
2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride
CID 22747843

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(5-bromofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine (CID 131031441) is 1-(5-bromofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(5-bromofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(5-bromofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine is NC(Cc1cncs1)c1coc(Br)c1.
What is the InChIKey of 1-(5-bromofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is SWPVJDRPPADRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2OS/c10-9-1-6(4-13-9)8(11)2-7-3-12-5-14-7/h1,3-5,8H,2,11H2.
What are the key properties of 1-(5-bromofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine?
1-(5-bromofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 273.16 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 131031441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).