1-[4-(5-bromo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butan-2-amine

C15H15BrN2OS — CID 62646770

IUPAC1-[4-(5-bromo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butan-2-amine
SMILESCCC(N)Cc1nc(-c2cc3cc(Br)ccc3o2)cs1
InChIInChI=1S/C15H15BrN2OS/c1-2-11(17)7-15-18-12(8-20-15)14-6-9-5-10(16)3-4-13(9)19-14/h3-6,8,11H,2,7,17H2,1H3
InChIKeyLWXCSNKHNQDLKE-UHFFFAOYSA-N
MW351.27 g/mol
LogP4.60
Rot. Bonds4

About 1-[4-(5-bromo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butan-2-amine

1-[4-(5-bromo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butan-2-amine (PubChem CID 62646770) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is 1-[4-(5-bromo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(5-bromo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butan-2-amine
PubChem CID62646770
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC Name1-[4-(5-bromo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butan-2-amine
SMILESCCC(N)Cc1nc(-c2cc3cc(Br)ccc3o2)cs1
InChIInChI=1S/C15H15BrN2OS/c1-2-11(17)7-15-18-12(8-20-15)14-6-9-5-10(16)3-4-13(9)19-14/h3-6,8,11H,2,7,17H2,1H3
InChIKeyLWXCSNKHNQDLKE-UHFFFAOYSA-N
XLogP4.60
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 62645718
(2S)-2-[4-(5-bromo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-oxobutanenitrile
CID 6977776
2-[4-(5-bromo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-oxobutanenitrile
CID 3437019
6-(5-bromo-1-benzofuran-2-yl)pyridin-3-amine
CID 115110800
1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 62647488
1-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]butan-2-amine
CID 62646957
N-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62921982
4-(5-chloro-1-benzofuran-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole
CID 71930204
3-(5-bromo-1-benzofuran-2-yl)-4-ethyl-1H-1,2,4-triazole-5-thione
CID 3972700
4-(5-bromo-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine
CID 55222406
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]butan-1-ol
CID 116969622
6-bromo-3-ethylchromen-2-one
CID 53243812

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-bromo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butan-2-amine?
The IUPAC name of 1-[4-(5-bromo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butan-2-amine (CID 62646770) is 1-[4-(5-bromo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butan-2-amine.
What is the SMILES notation for 1-[4-(5-bromo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butan-2-amine?
The canonical SMILES for 1-[4-(5-bromo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butan-2-amine is CCC(N)Cc1nc(-c2cc3cc(Br)ccc3o2)cs1.
What is the InChIKey of 1-[4-(5-bromo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butan-2-amine?
The InChIKey is LWXCSNKHNQDLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c1-2-11(17)7-15-18-12(8-20-15)14-6-9-5-10(16)3-4-13(9)19-14/h3-6,8,11H,2,7,17H2,1H3.
What are the key properties of 1-[4-(5-bromo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butan-2-amine?
1-[4-(5-bromo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butan-2-amine has a molecular weight of 351.27 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-bromo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butan-2-amine is sourced from PubChem (CID 62646770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).