6-(2,6-difluorophenyl)-5-fluoro-N-(5-piperidin-4-yloxy-1,2-thiazol-4-yl)pyridine-2-carboxamide;hydrochloride

C20H18ClF3N4O2S — CID 126744026

IUPAC6-(2,6-difluorophenyl)-5-fluoro-N-(5-piperidin-4-yloxy-1,2-thiazol-4-yl)pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cnsc1OC1CCNCC1)c1ccc(F)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C20H17F3N4O2S.ClH/c21-12-2-1-3-13(22)17(12)18-14(23)4-5-15(26-18)19(28)27-16-10-25-30-20(16)29-11-6-8-24-9-7-11;/h1-5,10-11,24H,6-9H2,(H,27,28);1H
InChIKeyMXKYOZHDTWOMDB-UHFFFAOYSA-N
MW470.90 g/mol
LogP4.43
Rot. Bonds5

About 6-(2,6-difluorophenyl)-5-fluoro-N-(5-piperidin-4-yloxy-1,2-thiazol-4-yl)pyridine-2-carboxamide;hydrochloride

6-(2,6-difluorophenyl)-5-fluoro-N-(5-piperidin-4-yloxy-1,2-thiazol-4-yl)pyridine-2-carboxamide;hydrochloride (PubChem CID 126744026) has the molecular formula C20H18ClF3N4O2S and a molecular weight of 470.90 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-5-fluoro-N-(5-piperidin-4-yloxy-1,2-thiazol-4-yl)pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-5-fluoro-N-(5-piperidin-4-yloxy-1,2-thiazol-4-yl)pyridine-2-carboxamide;hydrochloride
PubChem CID126744026
Molecular FormulaC20H18ClF3N4O2S
Molecular Weight470.90 g/mol
Exact Mass470.08
IUPAC Name6-(2,6-difluorophenyl)-5-fluoro-N-(5-piperidin-4-yloxy-1,2-thiazol-4-yl)pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cnsc1OC1CCNCC1)c1ccc(F)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C20H17F3N4O2S.ClH/c21-12-2-1-3-13(22)17(12)18-14(23)4-5-15(26-18)19(28)27-16-10-25-30-20(16)29-11-6-8-24-9-7-11;/h1-5,10-11,24H,6-9H2,(H,27,28);1H
InChIKeyMXKYOZHDTWOMDB-UHFFFAOYSA-N
XLogP4.43
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.90
LogP ≤ 54.43
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
N-[5-(3-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126744011
3-amino-N-[5-(azepan-4-yloxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126717936
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-[4-(azepan-4-yloxy)-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126712847
6-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxy-3-pyridinyl)pyridine-2-carboxamide
CID 71262676
3-amino-N-[5-(azetidin-3-yloxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 71261811
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
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-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-[5-(piperidin-4-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide
CID 71261907

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-5-fluoro-N-(5-piperidin-4-yloxy-1,2-thiazol-4-yl)pyridine-2-carboxamide;hydrochloride?
The IUPAC name of 6-(2,6-difluorophenyl)-5-fluoro-N-(5-piperidin-4-yloxy-1,2-thiazol-4-yl)pyridine-2-carboxamide;hydrochloride (CID 126744026) is 6-(2,6-difluorophenyl)-5-fluoro-N-(5-piperidin-4-yloxy-1,2-thiazol-4-yl)pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 6-(2,6-difluorophenyl)-5-fluoro-N-(5-piperidin-4-yloxy-1,2-thiazol-4-yl)pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 6-(2,6-difluorophenyl)-5-fluoro-N-(5-piperidin-4-yloxy-1,2-thiazol-4-yl)pyridine-2-carboxamide;hydrochloride is Cl.O=C(Nc1cnsc1OC1CCNCC1)c1ccc(F)c(-c2c(F)cccc2F)n1.
What is the InChIKey of 6-(2,6-difluorophenyl)-5-fluoro-N-(5-piperidin-4-yloxy-1,2-thiazol-4-yl)pyridine-2-carboxamide;hydrochloride?
The InChIKey is MXKYOZHDTWOMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2S.ClH/c21-12-2-1-3-13(22)17(12)18-14(23)4-5-15(26-18)19(28)27-16-10-25-30-20(16)29-11-6-8-24-9-7-11;/h1-5,10-11,24H,6-9H2,(H,27,28);1H.
What are the key properties of 6-(2,6-difluorophenyl)-5-fluoro-N-(5-piperidin-4-yloxy-1,2-thiazol-4-yl)pyridine-2-carboxamide;hydrochloride?
6-(2,6-difluorophenyl)-5-fluoro-N-(5-piperidin-4-yloxy-1,2-thiazol-4-yl)pyridine-2-carboxamide;hydrochloride has a molecular weight of 470.90 g/mol, XLogP of 4.43, 5 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-4-yloxy-1,2-thiazol-4-yl)pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 126744026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).