N-methyl-4-[[2-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide

C22H16F3N3O3S — CID 159896599

IUPACN-methyl-4-[[2-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Cc4ccccc4OC(F)(F)F)sc3c2)ccn1
InChIInChI=1S/C22H16F3N3O3S/c1-26-21(29)17-11-15(8-9-27-17)30-14-6-7-16-19(12-14)32-20(28-16)10-13-4-2-3-5-18(13)31-22(23,24)25/h2-9,11-12H,10H2,1H3,(H,26,29)
InChIKeyNVKOAKKRYFCOSJ-UHFFFAOYSA-N
MW459.45 g/mol
LogP5.33
Rot. Bonds6

About N-methyl-4-[[2-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide

N-methyl-4-[[2-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide (PubChem CID 159896599) has the molecular formula C22H16F3N3O3S and a molecular weight of 459.45 g/mol. Its IUPAC name is N-methyl-4-[[2-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[2-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide
PubChem CID159896599
Molecular FormulaC22H16F3N3O3S
Molecular Weight459.45 g/mol
Exact Mass459.09
IUPAC NameN-methyl-4-[[2-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Cc4ccccc4OC(F)(F)F)sc3c2)ccn1
InChIInChI=1S/C22H16F3N3O3S/c1-26-21(29)17-11-15(8-9-27-17)30-14-6-7-16-19(12-14)32-20(28-16)10-13-4-2-3-5-18(13)31-22(23,24)25/h2-9,11-12H,10H2,1H3,(H,26,29)
InChIKeyNVKOAKKRYFCOSJ-UHFFFAOYSA-N
XLogP5.33
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.45
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-[[2-[[3-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide
CID 175678406
4-[[2-[[(1S,6R)-6-carbamoylcyclohex-3-en-1-yl]methyl]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 147729581
4-[[2-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 127046492
4-[2-(hydroxymethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 107713393
N-methyl-4-[3-[[[3-(trifluoromethoxy)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide
CID 11248488
4-[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 10433842
4-[[2-[(2-acetamidocyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 87421368
N-methyl-4-[[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide
CID 59135412
4-[[2-[(2-formamidocyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 143564472
4-[[2-[(1-benzoylpiperidin-3-yl)amino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 87421251
4-[[2-[(1-cyclohexyl-3-hydroxypropan-2-yl)amino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 87421242
N-methyl-4-[[2-(2-piperidin-1-ylethylcarbamoylamino)-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide
CID 142736780

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[[2-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide (CID 159896599) is N-methyl-4-[[2-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[[2-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[[2-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nc(Cc4ccccc4OC(F)(F)F)sc3c2)ccn1.
What is the InChIKey of N-methyl-4-[[2-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide?
The InChIKey is NVKOAKKRYFCOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O3S/c1-26-21(29)17-11-15(8-9-27-17)30-14-6-7-16-19(12-14)32-20(28-16)10-13-4-2-3-5-18(13)31-22(23,24)25/h2-9,11-12H,10H2,1H3,(H,26,29).
What are the key properties of N-methyl-4-[[2-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide?
N-methyl-4-[[2-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide has a molecular weight of 459.45 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 159896599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).