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

C18H15F2N5O2S — CID 71261811

IUPAC3-amino-N-[5-(azetidin-3-yloxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
SMILESNc1ccc(-c2c(F)cccc2F)nc1C(=O)Nc1cnsc1OC1CNC1
InChIInChI=1S/C18H15F2N5O2S/c19-10-2-1-3-11(20)15(10)13-5-4-12(21)16(24-13)17(26)25-14-8-23-28-18(14)27-9-6-22-7-9/h1-5,8-9,22H,6-7,21H2,(H,25,26)
InChIKeyMXIVCRALWHRDBV-UHFFFAOYSA-N
MW403.41 g/mol
LogP2.67
Rot. Bonds5

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

3-amino-N-[5-(azetidin-3-yloxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide (PubChem CID 71261811) has the molecular formula C18H15F2N5O2S and a molecular weight of 403.41 g/mol. Its IUPAC name is 3-amino-N-[5-(azetidin-3-yloxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[5-(azetidin-3-yloxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
PubChem CID71261811
Molecular FormulaC18H15F2N5O2S
Molecular Weight403.41 g/mol
Exact Mass403.09
IUPAC Name3-amino-N-[5-(azetidin-3-yloxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
SMILESNc1ccc(-c2c(F)cccc2F)nc1C(=O)Nc1cnsc1OC1CNC1
InChIInChI=1S/C18H15F2N5O2S/c19-10-2-1-3-11(20)15(10)13-5-4-12(21)16(24-13)17(26)25-14-8-23-28-18(14)27-9-6-22-7-9/h1-5,8-9,22H,6-7,21H2,(H,25,26)
InChIKeyMXIVCRALWHRDBV-UHFFFAOYSA-N
XLogP2.67
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-6-(2,6-difluorophenyl)-N-[5-(piperidin-4-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide
CID 71261907
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-(azepan-4-yloxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126717936
3-amino-6-(2,6-difluorophenyl)-N-[5-(3-hydroxypiperidin-1-yl)-1,2-thiazol-4-yl]pyridine-2-carboxamide
CID 71261836
3-amino-N-[5-(4-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 126744038
N-[5-(azetidin-3-ylmethoxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 118413386
6-(2,6-difluorophenyl)-5-fluoro-N-(5-piperidin-4-yloxy-1,2-thiazol-4-yl)pyridine-2-carboxamide;hydrochloride
CID 126744026
3-amino-6-(2,6-difluorophenyl)-N-[5-(piperidin-4-ylmethoxy)-1,2-thiazol-4-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126717740
3-amino-6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide
CID 66554686
N-[5-(3-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126744011
3-amino-6-(2,6-difluorophenyl)-N-[4-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-3-pyridinyl]pyridine-2-carboxamide
CID 118396829
3-amino-N-[4-[4-(fluoromethyl)-3-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2-fluoro-6-phosphanylphenyl)pyridine-2-carboxamide
CID 123608683

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(azetidin-3-yloxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[5-(azetidin-3-yloxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide (CID 71261811) is 3-amino-N-[5-(azetidin-3-yloxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[5-(azetidin-3-yloxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[5-(azetidin-3-yloxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide is Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Nc1cnsc1OC1CNC1.
What is the InChIKey of 3-amino-N-[5-(azetidin-3-yloxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide?
The InChIKey is MXIVCRALWHRDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O2S/c19-10-2-1-3-11(20)15(10)13-5-4-12(21)16(24-13)17(26)25-14-8-23-28-18(14)27-9-6-22-7-9/h1-5,8-9,22H,6-7,21H2,(H,25,26).
What are the key properties of 3-amino-N-[5-(azetidin-3-yloxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide?
3-amino-N-[5-(azetidin-3-yloxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide has a molecular weight of 403.41 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(azetidin-3-yloxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 71261811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).