N-(2-phenyl-1,3-benzothiazol-5-yl)piperidine-1-carboxamide

C19H19N3OS — CID 130248858

IUPACN-(2-phenyl-1,3-benzothiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc2sc(-c3ccccc3)nc2c1)N1CCCCC1
InChIInChI=1S/C19H19N3OS/c23-19(22-11-5-2-6-12-22)20-15-9-10-17-16(13-15)21-18(24-17)14-7-3-1-4-8-14/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,20,23)
InChIKeyMRKKUSUROFDBNL-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.98
Rot. Bonds2

About N-(2-phenyl-1,3-benzothiazol-5-yl)piperidine-1-carboxamide

N-(2-phenyl-1,3-benzothiazol-5-yl)piperidine-1-carboxamide (PubChem CID 130248858) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-(2-phenyl-1,3-benzothiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenyl-1,3-benzothiazol-5-yl)piperidine-1-carboxamide
PubChem CID130248858
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-(2-phenyl-1,3-benzothiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc2sc(-c3ccccc3)nc2c1)N1CCCCC1
InChIInChI=1S/C19H19N3OS/c23-19(22-11-5-2-6-12-22)20-15-9-10-17-16(13-15)21-18(24-17)14-7-3-1-4-8-14/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,20,23)
InChIKeyMRKKUSUROFDBNL-UHFFFAOYSA-N
XLogP4.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]pyrrolidine-1-carboxamide
CID 130270096
N-[2-(2-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide
CID 130247403
3-amino-N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]pyrrolidine-1-carboxamide
CID 130247750
N-quinoxalin-6-ylpiperidine-1-carboxamide
CID 798080
4-benzylsulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)piperidine-1-carboxamide
CID 121022782
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]morpholine-4-carboxamide
CID 3261830
N-[2-(3-piperidin-1-ylcyclobutyl)-1,3-benzothiazol-5-yl]morpholine-4-carboxamide
CID 142694789
N-[2-(2,5-dioxopyrrolidin-1-yl)-1,3-benzothiazol-6-yl]azepane-1-carboxamide
CID 126152037
4-(pyrrolidine-1-carbonylamino)benzoic acid
CID 39732858
1-(1,3-benzothiazol-5-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122078635
4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 72858123
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxoazepan-1-yl)acetamide
CID 34289832

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-1,3-benzothiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-phenyl-1,3-benzothiazol-5-yl)piperidine-1-carboxamide (CID 130248858) is N-(2-phenyl-1,3-benzothiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-phenyl-1,3-benzothiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-phenyl-1,3-benzothiazol-5-yl)piperidine-1-carboxamide is O=C(Nc1ccc2sc(-c3ccccc3)nc2c1)N1CCCCC1.
What is the InChIKey of N-(2-phenyl-1,3-benzothiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is MRKKUSUROFDBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c23-19(22-11-5-2-6-12-22)20-15-9-10-17-16(13-15)21-18(24-17)14-7-3-1-4-8-14/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,20,23).
What are the key properties of N-(2-phenyl-1,3-benzothiazol-5-yl)piperidine-1-carboxamide?
N-(2-phenyl-1,3-benzothiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-1,3-benzothiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 130248858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).