2-(1,3-benzothiazol-2-yl)-1-(5-bromofuran-2-yl)ethanone

C13H8BrNO2S — CID 43118444

IUPAC2-(1,3-benzothiazol-2-yl)-1-(5-bromofuran-2-yl)ethanone
SMILESO=C(Cc1nc2ccccc2s1)c1ccc(Br)o1
InChIInChI=1S/C13H8BrNO2S/c14-12-6-5-10(17-12)9(16)7-13-15-8-3-1-2-4-11(8)18-13/h1-6H,7H2
InChIKeyQOVMNIDKWZCWAM-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.08
Rot. Bonds3

About 2-(1,3-benzothiazol-2-yl)-1-(5-bromofuran-2-yl)ethanone

2-(1,3-benzothiazol-2-yl)-1-(5-bromofuran-2-yl)ethanone (PubChem CID 43118444) has the molecular formula C13H8BrNO2S and a molecular weight of 322.18 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(5-bromofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(5-bromofuran-2-yl)ethanone
PubChem CID43118444
Molecular FormulaC13H8BrNO2S
Molecular Weight322.18 g/mol
Exact Mass320.95
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(5-bromofuran-2-yl)ethanone
SMILESO=C(Cc1nc2ccccc2s1)c1ccc(Br)o1
InChIInChI=1S/C13H8BrNO2S/c14-12-6-5-10(17-12)9(16)7-13-15-8-3-1-2-4-11(8)18-13/h1-6H,7H2
InChIKeyQOVMNIDKWZCWAM-UHFFFAOYSA-N
XLogP4.08
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(aminomethyl)furan-2-yl]-2-(1,3-benzothiazol-2-yl)ethanone
CID 116590110
N-(1,3-benzothiazol-2-ylmethyl)-5-bromo-N-methylfuran-2-carboxamide
CID 18117583
2-(1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)ethanone
CID 28934966
2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanone
CID 62276693
2-(1,3-benzothiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 28934993
1-(1,3-benzothiazol-2-yl)-3-hydroxybutan-2-one
CID 103451335
2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide
CID 66554003
2-(1,3-benzothiazol-2-yl)-1-(3-bromo-4-methoxyphenyl)ethanone
CID 61033577
1-(2-amino-5-methylphenyl)-2-(1,3-benzothiazol-2-yl)ethanone
CID 116581404
1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 79818598
N-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide
CID 52644872
(2Z)-3-(1,3-benzothiazol-2-yl)-2-hydroxyiminopropanoic acid
CID 134112094

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(5-bromofuran-2-yl)ethanone?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(5-bromofuran-2-yl)ethanone (CID 43118444) is 2-(1,3-benzothiazol-2-yl)-1-(5-bromofuran-2-yl)ethanone.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(5-bromofuran-2-yl)ethanone?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(5-bromofuran-2-yl)ethanone is O=C(Cc1nc2ccccc2s1)c1ccc(Br)o1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(5-bromofuran-2-yl)ethanone?
The InChIKey is QOVMNIDKWZCWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNO2S/c14-12-6-5-10(17-12)9(16)7-13-15-8-3-1-2-4-11(8)18-13/h1-6H,7H2.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(5-bromofuran-2-yl)ethanone?
2-(1,3-benzothiazol-2-yl)-1-(5-bromofuran-2-yl)ethanone has a molecular weight of 322.18 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-(5-bromofuran-2-yl)ethanone is sourced from PubChem (CID 43118444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).