N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

C21H20FN5OS — CID 90609448

IUPACN-(1H-benzimidazol-2-ylmethyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)C1CCN(c2nc3c(F)cccc3s2)CC1
InChIInChI=1S/C21H20FN5OS/c22-14-4-3-7-17-19(14)26-21(29-17)27-10-8-13(9-11-27)20(28)23-12-18-24-15-5-1-2-6-16(15)25-18/h1-7,13H,8-12H2,(H,23,28)(H,24,25)
InChIKeyYVMMSEJVCIVARV-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.84
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (PubChem CID 90609448) has the molecular formula C21H20FN5OS and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
PubChem CID90609448
Molecular FormulaC21H20FN5OS
Molecular Weight409.49 g/mol
Exact Mass409.14
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)C1CCN(c2nc3c(F)cccc3s2)CC1
InChIInChI=1S/C21H20FN5OS/c22-14-4-3-7-17-19(14)26-21(29-17)27-10-8-13(9-11-27)20(28)23-12-18-24-15-5-1-2-6-16(15)25-18/h1-7,13H,8-12H2,(H,23,28)(H,24,25)
InChIKeyYVMMSEJVCIVARV-UHFFFAOYSA-N
XLogP3.84
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 90609512
N-(1H-benzimidazol-2-ylmethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90609923
N-(cyclohexylmethyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609612
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-phenylpiperidine-4-carboxamide
CID 90609526
N-cyclopentyl-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609496
N-[[4-fluoro-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165433214
N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 7546016
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 90609540
N-(2,6-dimethylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609574
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 90609534
N-(4-ethylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609531
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide
CID 90609443

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (CID 90609448) is N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is O=C(NCc1nc2ccccc2[nH]1)C1CCN(c2nc3c(F)cccc3s2)CC1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is YVMMSEJVCIVARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5OS/c22-14-4-3-7-17-19(14)26-21(29-17)27-10-8-13(9-11-27)20(28)23-12-18-24-15-5-1-2-6-16(15)25-18/h1-7,13H,8-12H2,(H,23,28)(H,24,25).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 90609448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).