N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-fluorophenyl)acetamide

C17H15FN2OS — CID 30797489

IUPACN-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-fluorophenyl)acetamide
SMILESCCN(C(=O)Cc1ccc(F)cc1)c1nc2ccccc2s1
InChIInChI=1S/C17H15FN2OS/c1-2-20(16(21)11-12-7-9-13(18)10-8-12)17-19-14-5-3-4-6-15(14)22-17/h3-10H,2,11H2,1H3
InChIKeyXLTVXCODZDNXJC-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.03
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-fluorophenyl)acetamide

N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-fluorophenyl)acetamide (PubChem CID 30797489) has the molecular formula C17H15FN2OS and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-fluorophenyl)acetamide
PubChem CID30797489
Molecular FormulaC17H15FN2OS
Molecular Weight314.39 g/mol
Exact Mass314.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-fluorophenyl)acetamide
SMILESCCN(C(=O)Cc1ccc(F)cc1)c1nc2ccccc2s1
InChIInChI=1S/C17H15FN2OS/c1-2-20(16(21)11-12-7-9-13(18)10-8-12)17-19-14-5-3-4-6-15(14)22-17/h3-10H,2,11H2,1H3
InChIKeyXLTVXCODZDNXJC-UHFFFAOYSA-N
XLogP4.03
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)acetamide
CID 8670579
N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide
CID 30797487
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16566675
N-(1,3-benzothiazol-2-yl)-2-chloro-N-ethyl-4-fluorobenzamide
CID 34189759
[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 33327680
[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate
CID 55477171
2-[1,3-benzothiazol-2-yl-(2-phenylacetyl)amino]ethyl-dimethylazanium
CID 7294716
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 44922628
N-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]-2-phenoxyacetamide
CID 163718990
N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylacetamide;hydrochloride
CID 16808282
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)acetamide
CID 8718657
2-[1,3-benzothiazol-2-yl-[2-(4-methoxyphenyl)acetyl]amino]ethyl-dimethylazanium
CID 8718648

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-fluorophenyl)acetamide (CID 30797489) is N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-fluorophenyl)acetamide is CCN(C(=O)Cc1ccc(F)cc1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-fluorophenyl)acetamide?
The InChIKey is XLTVXCODZDNXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2OS/c1-2-20(16(21)11-12-7-9-13(18)10-8-12)17-19-14-5-3-4-6-15(14)22-17/h3-10H,2,11H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-fluorophenyl)acetamide?
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-fluorophenyl)acetamide has a molecular weight of 314.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 30797489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).