N-(1,3-benzothiazol-5-yl)-4-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide;hydrochloride

C26H25ClFN3OS — CID 162308957

IUPACN-(1,3-benzothiazol-5-yl)-4-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(Nc1ccc2scnc2c1)c1ccc(-c2ccc(F)cc2)c(CN2CCCCC2)c1
InChIInChI=1S/C26H24FN3OS.ClH/c27-21-7-4-18(5-8-21)23-10-6-19(14-20(23)16-30-12-2-1-3-13-30)26(31)29-22-9-11-25-24(15-22)28-17-32-25;/h4-11,14-15,17H,1-3,12-13,16H2,(H,29,31);1H
InChIKeyFMCQCOZOESNQSG-UHFFFAOYSA-N
MW482.02 g/mol
LogP6.76
Rot. Bonds5

About N-(1,3-benzothiazol-5-yl)-4-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide;hydrochloride

N-(1,3-benzothiazol-5-yl)-4-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide;hydrochloride (PubChem CID 162308957) has the molecular formula C26H25ClFN3OS and a molecular weight of 482.02 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-4-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-4-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide;hydrochloride
PubChem CID162308957
Molecular FormulaC26H25ClFN3OS
Molecular Weight482.02 g/mol
Exact Mass481.14
IUPAC NameN-(1,3-benzothiazol-5-yl)-4-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(Nc1ccc2scnc2c1)c1ccc(-c2ccc(F)cc2)c(CN2CCCCC2)c1
InChIInChI=1S/C26H24FN3OS.ClH/c27-21-7-4-18(5-8-21)23-10-6-19(14-20(23)16-30-12-2-1-3-13-30)26(31)29-22-9-11-25-24(15-22)28-17-32-25;/h4-11,14-15,17H,1-3,12-13,16H2,(H,29,31);1H
InChIKeyFMCQCOZOESNQSG-UHFFFAOYSA-N
XLogP6.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.02
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(1,3-benzothiazol-5-ylcarbamoyl)-2-phenylphenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 23112227
N-(1,3-benzothiazol-5-yl)-3-[(cyclohexylamino)methyl]-4-phenylbenzamide;hydrochloride
CID 162340024
N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 131934820
N-[5-bromo-6-(dimethylamino)-3-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride
CID 162337651
N-[2-(dimethylamino)-4-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;dihydrochloride
CID 162320964
N-(2-methyl-2,3-dihydro-1,3-benzothiazol-5-yl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide
CID 126635585
4-fluoro-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]benzamide
CID 53207572
4-bromo-N-(4-chloro-3-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide
CID 145429498
4-fluoro-N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]benzamide
CID 50745138
N-(1,3-benzothiazol-5-yl)-4-butoxybenzamide
CID 18585507
N-(2-carbamoyl-4-chlorophenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride
CID 162338003
4-(4-fluorophenyl)-N-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1,3-benzothiazol-6-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-4-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide;hydrochloride?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-4-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide;hydrochloride (CID 162308957) is N-(1,3-benzothiazol-5-yl)-4-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-4-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-4-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide;hydrochloride is Cl.O=C(Nc1ccc2scnc2c1)c1ccc(-c2ccc(F)cc2)c(CN2CCCCC2)c1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-4-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide;hydrochloride?
The InChIKey is FMCQCOZOESNQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3OS.ClH/c27-21-7-4-18(5-8-21)23-10-6-19(14-20(23)16-30-12-2-1-3-13-30)26(31)29-22-9-11-25-24(15-22)28-17-32-25;/h4-11,14-15,17H,1-3,12-13,16H2,(H,29,31);1H.
What are the key properties of N-(1,3-benzothiazol-5-yl)-4-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide;hydrochloride?
N-(1,3-benzothiazol-5-yl)-4-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide;hydrochloride has a molecular weight of 482.02 g/mol, XLogP of 6.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-4-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 162308957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).