N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide

C20H20FN3O2S — CID 126784409

IUPACN-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide
SMILESCC1(O)CCCN(C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)C1
InChIInChI=1S/C20H20FN3O2S/c1-20(26)9-4-10-24(12-20)19(25)23-15-8-7-13(21)11-14(15)18-22-16-5-2-3-6-17(16)27-18/h2-3,5-8,11,26H,4,9-10,12H2,1H3,(H,23,25)
InChIKeyQEYGRSWQRHBHOP-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.48
Rot. Bonds2

About N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide

N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide (PubChem CID 126784409) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide
PubChem CID126784409
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide
SMILESCC1(O)CCCN(C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)C1
InChIInChI=1S/C20H20FN3O2S/c1-20(26)9-4-10-24(12-20)19(25)23-15-8-7-13(21)11-14(15)18-22-16-5-2-3-6-17(16)27-18/h2-3,5-8,11,26H,4,9-10,12H2,1H3,(H,23,25)
InChIKeyQEYGRSWQRHBHOP-UHFFFAOYSA-N
XLogP4.48
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-3-N-ethylpiperidine-1,3-dicarboxamide
CID 86897139
N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]benzamide
CID 162385471
3-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-1-(2-hydroxyethyl)-1-methylurea
CID 111453520
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 112825032
N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-4-(trifluoromethyl)benzamide
CID 162385461
N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119778655
(6-fluoro-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874928
N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-3-piperidin-3-ylbutanamide
CID 119778650
N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-2-thiomorpholin-3-ylacetamide
CID 119938914
1-[(2,4-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63137889
N-[2-(2-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide
CID 130247403
(2S)-N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 40860794

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide (CID 126784409) is N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide is CC1(O)CCCN(C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)C1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide?
The InChIKey is QEYGRSWQRHBHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-20(26)9-4-10-24(12-20)19(25)23-15-8-7-13(21)11-14(15)18-22-16-5-2-3-6-17(16)27-18/h2-3,5-8,11,26H,4,9-10,12H2,1H3,(H,23,25).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide?
N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 126784409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).