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

C17H18BrN3O3S — CID 43960882

IUPAC5-bromo-N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCOc1ccc2nc(N(CCN(C)C)C(=O)c3ccc(Br)o3)sc2c1
InChIInChI=1S/C17H18BrN3O3S/c1-20(2)8-9-21(16(22)13-6-7-15(18)24-13)17-19-12-5-4-11(23-3)10-14(12)25-17/h4-7,10H,8-9H2,1-3H3
InChIKeyPRUQDKNWWOIENY-UHFFFAOYSA-N
MW424.32 g/mol
LogP3.87
Rot. Bonds6

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

5-bromo-N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 43960882) has the molecular formula C17H18BrN3O3S and a molecular weight of 424.32 g/mol. Its IUPAC name is 5-bromo-N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID43960882
Molecular FormulaC17H18BrN3O3S
Molecular Weight424.32 g/mol
Exact Mass423.03
IUPAC Name5-bromo-N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCOc1ccc2nc(N(CCN(C)C)C(=O)c3ccc(Br)o3)sc2c1
InChIInChI=1S/C17H18BrN3O3S/c1-20(2)8-9-21(16(22)13-6-7-15(18)24-13)17-19-12-5-4-11(23-3)10-14(12)25-17/h4-7,10H,8-9H2,1-3H3
InChIKeyPRUQDKNWWOIENY-UHFFFAOYSA-N
XLogP3.87
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.32
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 43960890
N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 7507317
4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7507379
N-[2-(dimethylamino)ethyl]-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7507384
N-[2-(dimethylamino)ethyl]-2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7507382
5-chloro-N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride
CID 18563726
N-[2-(dimethylamino)ethyl]-2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44922999
N-[2-(dimethylamino)ethyl]-3-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7507331
2-[(6-methoxy-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-carbonyl)amino]ethyl-dimethylazanium
CID 7507353
N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 40959158
N-[2-(dimethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8718667
N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
CID 43961808

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 43960882) is 5-bromo-N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide is COc1ccc2nc(N(CCN(C)C)C(=O)c3ccc(Br)o3)sc2c1.
What is the InChIKey of 5-bromo-N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is PRUQDKNWWOIENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O3S/c1-20(2)8-9-21(16(22)13-6-7-15(18)24-13)17-19-12-5-4-11(23-3)10-14(12)25-17/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 5-bromo-N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
5-bromo-N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 424.32 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 43960882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).