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

Name: N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₁₈FN₃OS — CID 130248890

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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

SMILESO=C(Nc1ccc2sc(-c3cccc(F)c3)nc2c1)N1CCCCC1

InChIInChI=1S/C19H18FN3OS/c20-14-6-4-5-13(11-14)18-22-16-12-15(7-8-17(16)25-18)21-19(24)23-9-2-1-3-10-23/h4-8,11-12H,1-3,9-10H2,(H,21,24)

InChIKeyMHLIAKTVBAOERF-UHFFFAOYSA-N

MW355.44 g/mol

LogP5.12

Rot. Bonds2

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

N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide (PubChem CID 130248890) has the molecular formula C₁₉H₁₈FN₃OS and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name	N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide
PubChem CID	130248890
Molecular Formula	C₁₉H₁₈FN₃OS
Molecular Weight	355.44 g/mol
Exact Mass	355.12
IUPAC Name	N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide
SMILES	O=C(Nc1ccc2sc(-c3cccc(F)c3)nc2c1)N1CCCCC1
InChI	InChI=1S/C19H18FN3OS/c20-14-6-4-5-13(11-14)18-22-16-12-15(7-8-17(16)25-18)21-19(24)23-9-2-1-3-10-23/h4-8,11-12H,1-3,9-10H2,(H,21,24)
InChIKey	MHLIAKTVBAOERF-UHFFFAOYSA-N
XLogP	5.12
TPSA	45.23 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	2
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	355.44
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide?

The IUPAC name of N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide (CID 130248890) is N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide.

What is the SMILES notation for N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide?

The canonical SMILES for N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide is O=C(Nc1ccc2sc(-c3cccc(F)c3)nc2c1)N1CCCCC1.

What is the InChIKey of N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide?

The InChIKey is MHLIAKTVBAOERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c20-14-6-4-5-13(11-14)18-22-16-12-15(7-8-17(16)25-18)21-19(24)23-9-2-1-3-10-23/h4-8,11-12H,1-3,9-10H2,(H,21,24).

What are the key properties of N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide?

N-[2-(3-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-(3-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 130248890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 130248890 — identifiers, structure, computed properties (public domain)

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