2-[1-benzofuran-2-carbonyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium

C20H19FN3O2S+ — CID 8717911

IUPAC2-[1-benzofuran-2-carbonyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium
SMILESC[NH+](C)CCN(C(=O)c1cc2ccccc2o1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C20H18FN3O2S/c1-23(2)9-10-24(20-22-15-8-7-14(21)12-18(15)27-20)19(25)17-11-13-5-3-4-6-16(13)26-17/h3-8,11-12H,9-10H2,1-2H3/p+1
InChIKeyCFUSSEGHDTWUPR-UHFFFAOYSA-O
MW384.46 g/mol
LogP2.97
Rot. Bonds5

About 2-[1-benzofuran-2-carbonyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium

2-[1-benzofuran-2-carbonyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium (PubChem CID 8717911) has the molecular formula C20H19FN3O2S+ and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-[1-benzofuran-2-carbonyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[1-benzofuran-2-carbonyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium
PubChem CID8717911
Molecular FormulaC20H19FN3O2S+
Molecular Weight384.46 g/mol
Exact Mass384.12
IUPAC Name2-[1-benzofuran-2-carbonyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium
SMILESC[NH+](C)CCN(C(=O)c1cc2ccccc2o1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C20H18FN3O2S/c1-23(2)9-10-24(20-22-15-8-7-14(21)12-18(15)27-20)19(25)17-11-13-5-3-4-6-16(13)26-17/h3-8,11-12H,9-10H2,1-2H3/p+1
InChIKeyCFUSSEGHDTWUPR-UHFFFAOYSA-O
XLogP2.97
TPSA50.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Trans-N-(4-(2-(((S)-2-amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)(propyl)amino)ethyl)cyclohexyl)benzofuran-2-carboxamide
CID 25131138
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 734562
N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylpropyl)furan-2-carboxamide
CID 2111813
N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)furan-2-carboxamide
CID 2414029
N,N,4-trimethyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 1245933
3-Hydroxy-5-(4-hydroxy-phenyl)-1-(6-methyl-benzothiazol-2-yl)-4-(5-methyl-furan-2-carbonyl)-1,5-dihydro-pyrrol-2-one
CID 3152775
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1242890
N-[4-(1,3-benzothiazol-2-yl)benzyl]-1-benzofuran-2-carboxamide
CID 1254657
N-(2-carbamoyl-1-benzofuran-3-yl)-1,3-benzothiazole-2-carboxamide
CID 2141383
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
CID 2308007
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2406187
N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 2603902

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzofuran-2-carbonyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium?
The IUPAC name of 2-[1-benzofuran-2-carbonyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium (CID 8717911) is 2-[1-benzofuran-2-carbonyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[1-benzofuran-2-carbonyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium?
The canonical SMILES for 2-[1-benzofuran-2-carbonyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium is C[NH+](C)CCN(C(=O)c1cc2ccccc2o1)c1nc2ccc(F)cc2s1.
What is the InChIKey of 2-[1-benzofuran-2-carbonyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium?
The InChIKey is CFUSSEGHDTWUPR-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H18FN3O2S/c1-23(2)9-10-24(20-22-15-8-7-14(21)12-18(15)27-20)19(25)17-11-13-5-3-4-6-16(13)26-17/h3-8,11-12H,9-10H2,1-2H3/p+1.
What are the key properties of 2-[1-benzofuran-2-carbonyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium?
2-[1-benzofuran-2-carbonyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium has a molecular weight of 384.46 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzofuran-2-carbonyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium is sourced from PubChem (CID 8717911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).