N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide

C26H25FN4OS — CID 44896437

IUPACN-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide
SMILESO=C(NCCN1CCN(c2nc3ccc(F)cc3s2)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H25FN4OS/c27-22-10-11-23-24(18-22)33-26(29-23)31-16-14-30(15-17-31)13-12-28-25(32)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-11,18H,12-17H2,(H,28,32)
InChIKeyZXTDFIWYVZMOGF-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.65
Rot. Bonds6

About N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide

N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide (PubChem CID 44896437) has the molecular formula C26H25FN4OS and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide
PubChem CID44896437
Molecular FormulaC26H25FN4OS
Molecular Weight460.58 g/mol
Exact Mass460.17
IUPAC NameN-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide
SMILESO=C(NCCN1CCN(c2nc3ccc(F)cc3s2)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H25FN4OS/c27-22-10-11-23-24(18-22)33-26(29-23)31-16-14-30(15-17-31)13-12-28-25(32)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-11,18H,12-17H2,(H,28,32)
InChIKeyZXTDFIWYVZMOGF-UHFFFAOYSA-N
XLogP4.65
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 44896463
3-ethylsulfanyl-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 16822935
N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 121044269
N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3-methoxynaphthalene-2-carboxamide
CID 44896507
4-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride
CID 121045125
3-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride
CID 121043106
methyl 4-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethylcarbamoyl]benzoate
CID 44896185
4-[(4-fluorophenyl)sulfonylamino]-N-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride
CID 121044659
N-[2-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide
CID 44896323
N-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3-phenoxybenzamide
CID 44896399
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone
CID 7539111
N-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-ethoxybenzamide
CID 44896533

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide (CID 44896437) is N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide is O=C(NCCN1CCN(c2nc3ccc(F)cc3s2)CC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide?
The InChIKey is ZXTDFIWYVZMOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4OS/c27-22-10-11-23-24(18-22)33-26(29-23)31-16-14-30(15-17-31)13-12-28-25(32)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-11,18H,12-17H2,(H,28,32).
What are the key properties of N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide?
N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide has a molecular weight of 460.58 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide is sourced from PubChem (CID 44896437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).