N-[2-(2-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide

C19H18FN3OS — CID 130247403

IUPACN-[2-(2-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc2sc(-c3ccccc3F)nc2c1)N1CCCCC1
InChIInChI=1S/C19H18FN3OS/c20-15-7-3-2-6-14(15)18-22-16-12-13(8-9-17(16)25-18)21-19(24)23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11H2,(H,21,24)
InChIKeyINVOKYZOXSMCJI-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.12
Rot. Bonds2

About N-[2-(2-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide

N-[2-(2-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide (PubChem CID 130247403) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide
PubChem CID130247403
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC NameN-[2-(2-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc2sc(-c3ccccc3F)nc2c1)N1CCCCC1
InChIInChI=1S/C19H18FN3OS/c20-15-7-3-2-6-14(15)18-22-16-12-13(8-9-17(16)25-18)21-19(24)23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11H2,(H,21,24)
InChIKeyINVOKYZOXSMCJI-UHFFFAOYSA-N
XLogP5.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenyl-1,3-benzothiazol-5-yl)piperidine-1-carboxamide
CID 130248858
N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]pyrrolidine-1-carboxamide
CID 130270096
2-(2,3-difluorophenyl)-N-pyrrolidin-1-yl-1,3-benzothiazol-5-amine
CID 130247798
N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 90728139
3-amino-N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]pyrrolidine-1-carboxamide
CID 130247750
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
N-quinoxalin-6-ylpiperidine-1-carboxamide
CID 798080
N-(3,4-dichlorophenyl)-3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
CID 90491191
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 112825032
N-[2-(3-piperidin-1-ylcyclobutyl)-1,3-benzothiazol-5-yl]morpholine-4-carboxamide
CID 142694789
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2-fluorobenzamide
CID 1103996
N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 47456948

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide (CID 130247403) is N-[2-(2-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide is O=C(Nc1ccc2sc(-c3ccccc3F)nc2c1)N1CCCCC1.
What is the InChIKey of N-[2-(2-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide?
The InChIKey is INVOKYZOXSMCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c20-15-7-3-2-6-14(15)18-22-16-12-13(8-9-17(16)25-18)21-19(24)23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11H2,(H,21,24).
What are the key properties of N-[2-(2-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide?
N-[2-(2-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 130247403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).