N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide

C19H17F2N3OS — CID 130270098

IUPACN-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc2sc(-c3ccc(F)c(F)c3)nc2c1)N1CCCCC1
InChIInChI=1S/C19H17F2N3OS/c20-14-6-4-12(10-15(14)21)18-23-16-11-13(5-7-17(16)26-18)22-19(25)24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9H2,(H,22,25)
InChIKeyDKCKKHJHWKRWRG-UHFFFAOYSA-N
MW373.43 g/mol
LogP5.26
Rot. Bonds2

About N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide

N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide (PubChem CID 130270098) has the molecular formula C19H17F2N3OS and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide
PubChem CID130270098
Molecular FormulaC19H17F2N3OS
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc2sc(-c3ccc(F)c(F)c3)nc2c1)N1CCCCC1
InChIInChI=1S/C19H17F2N3OS/c20-14-6-4-12(10-15(14)21)18-23-16-11-13(5-7-17(16)26-18)22-19(25)24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9H2,(H,22,25)
InChIKeyDKCKKHJHWKRWRG-UHFFFAOYSA-N
XLogP5.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.43
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide (CID 130270098) is N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide is O=C(Nc1ccc2sc(-c3ccc(F)c(F)c3)nc2c1)N1CCCCC1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide?
The InChIKey is DKCKKHJHWKRWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3OS/c20-14-6-4-12(10-15(14)21)18-23-16-11-13(5-7-17(16)26-18)22-19(25)24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9H2,(H,22,25).
What are the key properties of N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide?
N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)-1,3-benzothiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 130270098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).