N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride

C18H21ClFN3O2S — CID 16808541

IUPACN-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride
SMILESCCN(CC)CCN(C(=O)c1ccco1)c1nc2ccc(F)cc2s1.Cl
InChIInChI=1S/C18H20FN3O2S.ClH/c1-3-21(4-2)9-10-22(17(23)15-6-5-11-24-15)18-20-14-8-7-13(19)12-16(14)25-18;/h5-8,11-12H,3-4,9-10H2,1-2H3;1H
InChIKeyKBNBPMHWTMIAFX-UHFFFAOYSA-N
MW397.90 g/mol
LogP4.44
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride

N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride (PubChem CID 16808541) has the molecular formula C18H21ClFN3O2S and a molecular weight of 397.90 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride
PubChem CID16808541
Molecular FormulaC18H21ClFN3O2S
Molecular Weight397.90 g/mol
Exact Mass397.10
IUPAC NameN-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride
SMILESCCN(CC)CCN(C(=O)c1ccco1)c1nc2ccc(F)cc2s1.Cl
InChIInChI=1S/C18H20FN3O2S.ClH/c1-3-21(4-2)9-10-22(17(23)15-6-5-11-24-15)18-20-14-8-7-13(19)12-16(14)25-18;/h5-8,11-12H,3-4,9-10H2,1-2H3;1H
InChIKeyKBNBPMHWTMIAFX-UHFFFAOYSA-N
XLogP4.44
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.90
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)ethyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride
CID 18589767
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)furan-2-carboxamide
CID 30461427
N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 7511319
N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 24761859
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 16824185
N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide;hydrochloride
CID 44925316
N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3-fluorobenzamide;hydrochloride
CID 44925651
N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-nitrobenzamide;hydrochloride
CID 44925374
N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 7208435
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-3-fluorobenzamide
CID 7294738
N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-fluorobenzamide;hydrochloride
CID 44928767
N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide;hydrochloride
CID 44925718

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride (CID 16808541) is N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride is CCN(CC)CCN(C(=O)c1ccco1)c1nc2ccc(F)cc2s1.Cl.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride?
The InChIKey is KBNBPMHWTMIAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2S.ClH/c1-3-21(4-2)9-10-22(17(23)15-6-5-11-24-15)18-20-14-8-7-13(19)12-16(14)25-18;/h5-8,11-12H,3-4,9-10H2,1-2H3;1H.
What are the key properties of N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride?
N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride has a molecular weight of 397.90 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 16808541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).