6-(2,6-difluorophenyl)-5-fluoro-N-[5-(piperidin-3-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide

C21H19F3N4O2S — CID 118413433

IUPAC6-(2,6-difluorophenyl)-5-fluoro-N-[5-(piperidin-3-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnsc1OCC1CCCNC1)c1ccc(F)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C21H19F3N4O2S/c22-13-4-1-5-14(23)18(13)19-15(24)6-7-16(27-19)20(29)28-17-10-26-31-21(17)30-11-12-3-2-8-25-9-12/h1,4-7,10,12,25H,2-3,8-9,11H2,(H,28,29)
InChIKeyVTZAOTUDJPKKBU-UHFFFAOYSA-N
MW448.47 g/mol
LogP4.25
Rot. Bonds6

About 6-(2,6-difluorophenyl)-5-fluoro-N-[5-(piperidin-3-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide

6-(2,6-difluorophenyl)-5-fluoro-N-[5-(piperidin-3-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide (PubChem CID 118413433) has the molecular formula C21H19F3N4O2S and a molecular weight of 448.47 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-5-fluoro-N-[5-(piperidin-3-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-5-fluoro-N-[5-(piperidin-3-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide
PubChem CID118413433
Molecular FormulaC21H19F3N4O2S
Molecular Weight448.47 g/mol
Exact Mass448.12
IUPAC Name6-(2,6-difluorophenyl)-5-fluoro-N-[5-(piperidin-3-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnsc1OCC1CCCNC1)c1ccc(F)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C21H19F3N4O2S/c22-13-4-1-5-14(23)18(13)19-15(24)6-7-16(27-19)20(29)28-17-10-26-31-21(17)30-11-12-3-2-8-25-9-12/h1,4-7,10,12,25H,2-3,8-9,11H2,(H,28,29)
InChIKeyVTZAOTUDJPKKBU-UHFFFAOYSA-N
XLogP4.25
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(2,6-difluorophenyl)-5-fluoro-N-[5-(piperidin-3-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

6-(2,6-difluorophenyl)-5-fluoro-N-(5-piperidin-4-yloxy-1,2-thiazol-4-yl)pyridine-2-carboxamide;hydrochloride
CID 126744026
N-[5-(azetidin-3-ylmethoxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 118413386
3-amino-6-(2,6-difluorophenyl)-N-[5-(piperidin-4-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide
CID 71261907
3-amino-6-(2,6-difluorophenyl)-N-[5-(piperidin-4-ylmethoxy)-1,2-thiazol-4-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126717740
6-(2,6-difluorophenyl)-5-[4-(piperidin-3-ylmethoxy)-3-pyridinyl]pyridine-2-carboxamide
CID 174777379
3-amino-N-[5-(azepan-4-yloxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126717936
3-[(2,6-difluorophenoxy)methyl]piperidine
CID 81268520
N-[4-(azepan-4-yloxy)-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126712847
2-(2,6-difluorophenyl)-N-[[(3S)-piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 167772025
6-(2,6-difluorophenyl)-5-fluoro-N-[4-(4-hydroxybutoxy)-3-pyridinyl]pyridine-2-carboxamide
CID 118413553
6-(piperidin-3-ylmethoxy)pyridine-2-carboxamide
CID 64589412
3-amino-6-(2,6-difluorophenyl)-5-fluoro-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]pyridine-2-carboxamide;hydrochloride
CID 126745065

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-5-fluoro-N-[5-(piperidin-3-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(2,6-difluorophenyl)-5-fluoro-N-[5-(piperidin-3-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide (CID 118413433) is 6-(2,6-difluorophenyl)-5-fluoro-N-[5-(piperidin-3-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(2,6-difluorophenyl)-5-fluoro-N-[5-(piperidin-3-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(2,6-difluorophenyl)-5-fluoro-N-[5-(piperidin-3-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide is O=C(Nc1cnsc1OCC1CCCNC1)c1ccc(F)c(-c2c(F)cccc2F)n1.
What is the InChIKey of 6-(2,6-difluorophenyl)-5-fluoro-N-[5-(piperidin-3-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide?
The InChIKey is VTZAOTUDJPKKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O2S/c22-13-4-1-5-14(23)18(13)19-15(24)6-7-16(27-19)20(29)28-17-10-26-31-21(17)30-11-12-3-2-8-25-9-12/h1,4-7,10,12,25H,2-3,8-9,11H2,(H,28,29).
What are the key properties of 6-(2,6-difluorophenyl)-5-fluoro-N-[5-(piperidin-3-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide?
6-(2,6-difluorophenyl)-5-fluoro-N-[5-(piperidin-3-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide has a molecular weight of 448.47 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-5-fluoro-N-[5-(piperidin-3-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118413433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).