N-[5-(3-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide

C22H19F5N4O2S — CID 126744011

IUPACN-[5-(3-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESNC1CCCC(Oc2sncc2NC(=O)c2ccc(C(F)(F)F)c(-c3c(F)cccc3F)n2)C1
InChIInChI=1S/C22H19F5N4O2S/c23-14-5-2-6-15(24)18(14)19-13(22(25,26)27)7-8-16(30-19)20(32)31-17-10-29-34-21(17)33-12-4-1-3-11(28)9-12/h2,5-8,10-12H,1,3-4,9,28H2,(H,31,32)
InChIKeyGLKBOJZPKKQWMC-UHFFFAOYSA-N
MW498.48 g/mol
LogP5.40
Rot. Bonds5

About N-[5-(3-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide

N-[5-(3-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 126744011) has the molecular formula C22H19F5N4O2S and a molecular weight of 498.48 g/mol. Its IUPAC name is N-[5-(3-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID126744011
Molecular FormulaC22H19F5N4O2S
Molecular Weight498.48 g/mol
Exact Mass498.11
IUPAC NameN-[5-(3-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESNC1CCCC(Oc2sncc2NC(=O)c2ccc(C(F)(F)F)c(-c3c(F)cccc3F)n2)C1
InChIInChI=1S/C22H19F5N4O2S/c23-14-5-2-6-15(24)18(14)19-13(22(25,26)27)7-8-16(30-19)20(32)31-17-10-29-34-21(17)33-12-4-1-3-11(28)9-12/h2,5-8,10-12H,1,3-4,9,28H2,(H,31,32)
InChIKeyGLKBOJZPKKQWMC-UHFFFAOYSA-N
XLogP5.40
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.48
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3-aminocyclohexyl)oxy-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 126744496
3-amino-N-[5-(4-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 126744038
6-(2,6-difluorophenyl)-5-fluoro-N-(5-piperidin-4-yloxy-1,2-thiazol-4-yl)pyridine-2-carboxamide;hydrochloride
CID 126744026
3-amino-N-[5-(azepan-4-yloxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126717936
N-[4-(azepan-4-yloxy)-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126712847
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]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126717740
6-(2,6-difluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126712802
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
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-(azetidin-3-yloxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 71261811
N-[5-(azetidin-3-ylmethoxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 118413386

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[5-(3-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 126744011) is N-[5-(3-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[5-(3-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[5-(3-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide is NC1CCCC(Oc2sncc2NC(=O)c2ccc(C(F)(F)F)c(-c3c(F)cccc3F)n2)C1.
What is the InChIKey of N-[5-(3-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is GLKBOJZPKKQWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F5N4O2S/c23-14-5-2-6-15(24)18(14)19-13(22(25,26)27)7-8-16(30-19)20(32)31-17-10-29-34-21(17)33-12-4-1-3-11(28)9-12/h2,5-8,10-12H,1,3-4,9,28H2,(H,31,32).
What are the key properties of N-[5-(3-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
N-[5-(3-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 498.48 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 126744011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).