N-(4-cyanophenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

C20H17FN4OS — CID 90610574

IUPACN-(4-cyanophenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCCN(c3nc4c(F)cccc4s3)C2)cc1
InChIInChI=1S/C20H17FN4OS/c21-16-4-1-5-17-18(16)24-20(27-17)25-10-2-3-14(12-25)19(26)23-15-8-6-13(11-22)7-9-15/h1,4-9,14H,2-3,10,12H2,(H,23,26)
InChIKeyAZIXQVATAMAJBO-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.16
Rot. Bonds3

About N-(4-cyanophenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

N-(4-cyanophenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (PubChem CID 90610574) has the molecular formula C20H17FN4OS and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(4-cyanophenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
PubChem CID90610574
Molecular FormulaC20H17FN4OS
Molecular Weight380.45 g/mol
Exact Mass380.11
IUPAC NameN-(4-cyanophenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCCN(c3nc4c(F)cccc4s3)C2)cc1
InChIInChI=1S/C20H17FN4OS/c21-16-4-1-5-17-18(16)24-20(27-17)25-10-2-3-14(12-25)19(26)23-15-8-6-13(11-22)7-9-15/h1,4-9,14H,2-3,10,12H2,(H,23,26)
InChIKeyAZIXQVATAMAJBO-UHFFFAOYSA-N
XLogP4.16
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90610490
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 90610546
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide
CID 90610518
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-phenylpiperidine-4-carboxamide
CID 90609526
N-(4-acetylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609556
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(4-methylsulfonylphenyl)azetidine-3-carboxamide
CID 52908068
1-(1,3-benzothiazol-2-yl)-N-(4-cyanophenyl)piperidine-4-carboxamide
CID 90609420
N-[(2,4-difluorophenyl)methyl]-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90610569
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-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 90610427
1-(1,3-benzothiazol-2-yl)-N-(4-methylsulfanylphenyl)piperidine-3-carboxamide
CID 90609916
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]azetidine-3-carboxamide
CID 90604491

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (CID 90610574) is N-(4-cyanophenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is N#Cc1ccc(NC(=O)C2CCCN(c3nc4c(F)cccc4s3)C2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is AZIXQVATAMAJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4OS/c21-16-4-1-5-17-18(16)24-20(27-17)25-10-2-3-14(12-25)19(26)23-15-8-6-13(11-22)7-9-15/h1,4-9,14H,2-3,10,12H2,(H,23,26).
What are the key properties of N-(4-cyanophenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
N-(4-cyanophenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 90610574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).