5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]furan-2-carboxamide

C16H15Br2N3O2S — CID 43960890

IUPAC5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
SMILESCN(C)CCN(C(=O)c1ccc(Br)o1)c1nc2ccc(Br)cc2s1
InChIInChI=1S/C16H15Br2N3O2S/c1-20(2)7-8-21(15(22)12-5-6-14(18)23-12)16-19-11-4-3-10(17)9-13(11)24-16/h3-6,9H,7-8H2,1-2H3
InChIKeyLCAIOVGYRJZZDJ-UHFFFAOYSA-N
MW473.19 g/mol
LogP4.62
Rot. Bonds5

About 5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]furan-2-carboxamide

5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]furan-2-carboxamide (PubChem CID 43960890) has the molecular formula C16H15Br2N3O2S and a molecular weight of 473.19 g/mol. Its IUPAC name is 5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
PubChem CID43960890
Molecular FormulaC16H15Br2N3O2S
Molecular Weight473.19 g/mol
Exact Mass470.93
IUPAC Name5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
SMILESCN(C)CCN(C(=O)c1ccc(Br)o1)c1nc2ccc(Br)cc2s1
InChIInChI=1S/C16H15Br2N3O2S/c1-20(2)7-8-21(15(22)12-5-6-14(18)23-12)16-19-11-4-3-10(17)9-13(11)24-16/h3-6,9H,7-8H2,1-2H3
InChIKeyLCAIOVGYRJZZDJ-UHFFFAOYSA-N
XLogP4.62
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.19
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 43960882
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-methylbenzamide;hydrochloride
CID 44923384
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-methylsulfanylbenzamide
CID 41045381
N-(6-bromo-1,3-benzothiazol-2-yl)-4-(diethylamino)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
CID 44923398
N-(6-bromo-1,3-benzothiazol-2-yl)-3-chloro-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
CID 44923323
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 7512201
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride
CID 44919475
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-methylsulfonylbenzamide
CID 41045379
4-acetyl-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide;hydrochloride
CID 16808696
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-propan-2-yloxybenzamide;hydrochloride
CID 44923397
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzothiazole-2-carboxamide
CID 18563988
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 44931602

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]furan-2-carboxamide (CID 43960890) is 5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]furan-2-carboxamide is CN(C)CCN(C(=O)c1ccc(Br)o1)c1nc2ccc(Br)cc2s1.
What is the InChIKey of 5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]furan-2-carboxamide?
The InChIKey is LCAIOVGYRJZZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2N3O2S/c1-20(2)7-8-21(15(22)12-5-6-14(18)23-12)16-19-11-4-3-10(17)9-13(11)24-16/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]furan-2-carboxamide?
5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]furan-2-carboxamide has a molecular weight of 473.19 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 43960890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).