N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(pyridine-2-carbonyl)piperidine-4-carboxamide

C19H17FN4O2S — CID 134697217

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-1-(pyridine-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1nc2c(F)cccc2s1)C1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C19H17FN4O2S/c20-13-4-3-6-15-16(13)22-19(27-15)23-17(25)12-7-10-24(11-8-12)18(26)14-5-1-2-9-21-14/h1-6,9,12H,7-8,10-11H2,(H,22,23,25)
InChIKeyNCYLEFRXEOBEJG-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.32
Rot. Bonds3

About N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(pyridine-2-carbonyl)piperidine-4-carboxamide

N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(pyridine-2-carbonyl)piperidine-4-carboxamide (PubChem CID 134697217) has the molecular formula C19H17FN4O2S and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(pyridine-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-1-(pyridine-2-carbonyl)piperidine-4-carboxamide
PubChem CID134697217
Molecular FormulaC19H17FN4O2S
Molecular Weight384.44 g/mol
Exact Mass384.11
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-1-(pyridine-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1nc2c(F)cccc2s1)C1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C19H17FN4O2S/c20-13-4-3-6-15-16(13)22-19(27-15)23-17(25)12-7-10-24(11-8-12)18(26)14-5-1-2-9-21-14/h1-6,9,12H,7-8,10-11H2,(H,22,23,25)
InChIKeyNCYLEFRXEOBEJG-UHFFFAOYSA-N
XLogP3.32
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(pyridine-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(pyridine-2-carbonyl)piperidine-4-carboxamide (CID 134697217) is N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(pyridine-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(pyridine-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(pyridine-2-carbonyl)piperidine-4-carboxamide is O=C(Nc1nc2c(F)cccc2s1)C1CCN(C(=O)c2ccccn2)CC1.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(pyridine-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is NCYLEFRXEOBEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2S/c20-13-4-3-6-15-16(13)22-19(27-15)23-17(25)12-7-10-24(11-8-12)18(26)14-5-1-2-9-21-14/h1-6,9,12H,7-8,10-11H2,(H,22,23,25).
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(pyridine-2-carbonyl)piperidine-4-carboxamide?
N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(pyridine-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(pyridine-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 134697217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).