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

C19H16F2N4O2S — CID 118413386

IUPACN-[5-(azetidin-3-ylmethoxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cnsc1OCC1CNC1)c1cccc(-c2c(F)cccc2F)n1
InChIInChI=1S/C19H16F2N4O2S/c20-12-3-1-4-13(21)17(12)14-5-2-6-15(24-14)18(26)25-16-9-23-28-19(16)27-10-11-7-22-8-11/h1-6,9,11,22H,7-8,10H2,(H,25,26)
InChIKeyXHHFVQPZDFJPDO-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.33
Rot. Bonds6

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

N-[5-(azetidin-3-ylmethoxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide (PubChem CID 118413386) has the molecular formula C19H16F2N4O2S and a molecular weight of 402.43 g/mol. Its IUPAC name is N-[5-(azetidin-3-ylmethoxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(azetidin-3-ylmethoxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
PubChem CID118413386
Molecular FormulaC19H16F2N4O2S
Molecular Weight402.43 g/mol
Exact Mass402.10
IUPAC NameN-[5-(azetidin-3-ylmethoxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cnsc1OCC1CNC1)c1cccc(-c2c(F)cccc2F)n1
InChIInChI=1S/C19H16F2N4O2S/c20-12-3-1-4-13(21)17(12)14-5-2-6-15(24-14)18(26)25-16-9-23-28-19(16)27-10-11-7-22-8-11/h1-6,9,11,22H,7-8,10H2,(H,25,26)
InChIKeyXHHFVQPZDFJPDO-UHFFFAOYSA-N
XLogP3.33
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,6-difluorophenyl)-5-fluoro-N-[5-(piperidin-3-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide
CID 118413433
3-amino-6-(2,6-difluorophenyl)-N-[5-(piperidin-4-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide
CID 71261907
6-(2,6-difluorophenyl)-N-[5-(4-hydroxypiperidin-1-yl)-1,2-thiazol-4-yl]pyridine-2-carboxamide
CID 71261824
3-amino-N-[5-(azetidin-3-yloxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 71261811
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-fluoro-N-(5-piperidin-4-yloxy-1,2-thiazol-4-yl)pyridine-2-carboxamide;hydrochloride
CID 126744026
6-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxy-3-pyridinyl)pyridine-2-carboxamide
CID 71262676
2-(2,6-difluorophenyl)-N-[5-(4-hydroxypentoxy)-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide
CID 71261802
N-[5-(1-amino-3-chloropropan-2-yl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide;hydrochloride
CID 126744062
N-[5-(3-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126744011
5-amino-N-[5-(4-carbamoylcyclohexyl)oxy-1,2-thiazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 71261916
3-amino-N-[5-(4-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 126744038

Frequently Asked Questions

What is the IUPAC name of N-[5-(azetidin-3-ylmethoxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide?
The IUPAC name of N-[5-(azetidin-3-ylmethoxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide (CID 118413386) is N-[5-(azetidin-3-ylmethoxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[5-(azetidin-3-ylmethoxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[5-(azetidin-3-ylmethoxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide is O=C(Nc1cnsc1OCC1CNC1)c1cccc(-c2c(F)cccc2F)n1.
What is the InChIKey of N-[5-(azetidin-3-ylmethoxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide?
The InChIKey is XHHFVQPZDFJPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2S/c20-12-3-1-4-13(21)17(12)14-5-2-6-15(24-14)18(26)25-16-9-23-28-19(16)27-10-11-7-22-8-11/h1-6,9,11,22H,7-8,10H2,(H,25,26).
What are the key properties of N-[5-(azetidin-3-ylmethoxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide?
N-[5-(azetidin-3-ylmethoxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide has a molecular weight of 402.43 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azetidin-3-ylmethoxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 118413386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).