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

C13H14FN3OS — CID 89044415

IUPAC(2S)-N-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
SMILESO=C(Nc1nc2c(F)cccc2s1)[C@@H]1CCCCN1
InChIInChI=1S/C13H14FN3OS/c14-8-4-3-6-10-11(8)16-13(19-10)17-12(18)9-5-1-2-7-15-9/h3-4,6,9,15H,1-2,5,7H2,(H,16,17,18)/t9-/m0/s1
InChIKeyGKASIQINPLEQQD-VIFPVBQESA-N
MW279.34 g/mol
LogP2.52
Rot. Bonds2

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

(2S)-N-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-2-carboxamide (PubChem CID 89044415) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is (2S)-N-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
PubChem CID89044415
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC Name(2S)-N-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
SMILESO=C(Nc1nc2c(F)cccc2s1)[C@@H]1CCCCN1
InChIInChI=1S/C13H14FN3OS/c14-8-4-3-6-10-11(8)16-13(19-10)17-12(18)9-5-1-2-7-15-9/h3-4,6,9,15H,1-2,5,7H2,(H,16,17,18)/t9-/m0/s1
InChIKeyGKASIQINPLEQQD-VIFPVBQESA-N
XLogP2.52
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluoro-1,3-benzothiazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride
CID 162211445
N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 43124050
N-(2-fluorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119262310
1-[(2S)-azetidin-2-yl]-2-(4-fluoro-1,3-benzothiazol-2-yl)ethanone;hydrochloride
CID 160899448
(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119674535
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119263420
N-(3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281809
N-(5-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 119287690
1-[2-(dimethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 177079750
N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 16831616
1-(3,5-dimethylphenyl)-3-(4-fluoro-1,3-benzothiazol-2-yl)urea
CID 121080751
(2R)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 27545897

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-2-carboxamide (CID 89044415) is (2S)-N-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-2-carboxamide is O=C(Nc1nc2c(F)cccc2s1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-2-carboxamide?
The InChIKey is GKASIQINPLEQQD-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14FN3OS/c14-8-4-3-6-10-11(8)16-13(19-10)17-12(18)9-5-1-2-7-15-9/h3-4,6,9,15H,1-2,5,7H2,(H,16,17,18)/t9-/m0/s1.
What are the key properties of (2S)-N-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-2-carboxamide?
(2S)-N-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-2-carboxamide is sourced from PubChem (CID 89044415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).