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

C19H18FN3OS — CID 130248890

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 NameN-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide
PubChem CID130248890
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC NameN-[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
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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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).