N-methyl-4-[2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxypyridine-2-carboxamide

C23H15F3N4O2S — CID 155816359

IUPACN-methyl-4-[2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)sc2nc(-c4ccc(C(F)(F)F)cc4)cn23)ccn1
InChIInChI=1S/C23H15F3N4O2S/c1-27-21(31)17-10-16(8-9-28-17)32-15-6-7-19-20(11-15)33-22-29-18(12-30(19)22)13-2-4-14(5-3-13)23(24,25)26/h2-12H,1H3,(H,27,31)
InChIKeyDXWNUAMLRJYAET-UHFFFAOYSA-N
MW468.46 g/mol
LogP5.78
Rot. Bonds4

About N-methyl-4-[2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxypyridine-2-carboxamide

N-methyl-4-[2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxypyridine-2-carboxamide (PubChem CID 155816359) has the molecular formula C23H15F3N4O2S and a molecular weight of 468.46 g/mol. Its IUPAC name is N-methyl-4-[2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxypyridine-2-carboxamide
PubChem CID155816359
Molecular FormulaC23H15F3N4O2S
Molecular Weight468.46 g/mol
Exact Mass468.09
IUPAC NameN-methyl-4-[2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)sc2nc(-c4ccc(C(F)(F)F)cc4)cn23)ccn1
InChIInChI=1S/C23H15F3N4O2S/c1-27-21(31)17-10-16(8-9-28-17)32-15-6-7-19-20(11-15)33-22-29-18(12-30(19)22)13-2-4-14(5-3-13)23(24,25)26/h2-12H,1H3,(H,27,31)
InChIKeyDXWNUAMLRJYAET-UHFFFAOYSA-N
XLogP5.78
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.46
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 155816468
2-[4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 164571923
N-methyl-4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041171
N'-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11236465
4-[[2-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 127046492
N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11408487
N-methyl-4-[3-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide
CID 11476310
N-methyl-4-[[2-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide
CID 171392073
N-methyl-4-(6-propoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline
CID 66803372
4-[(2-cyano-3-methyl-1-benzothiophen-6-yl)oxy]-N-methylpyridine-2-carboxamide
CID 142556489
N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 58968812
N-methyl-4-[6-[2-[3-(trifluoromethyl)oxetan-3-yl]acetyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]benzamide
CID 167625188

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxypyridine-2-carboxamide (CID 155816359) is N-methyl-4-[2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxypyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(c2)sc2nc(-c4ccc(C(F)(F)F)cc4)cn23)ccn1.
What is the InChIKey of N-methyl-4-[2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxypyridine-2-carboxamide?
The InChIKey is DXWNUAMLRJYAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N4O2S/c1-27-21(31)17-10-16(8-9-28-17)32-15-6-7-19-20(11-15)33-22-29-18(12-30(19)22)13-2-4-14(5-3-13)23(24,25)26/h2-12H,1H3,(H,27,31).
What are the key properties of N-methyl-4-[2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxypyridine-2-carboxamide?
N-methyl-4-[2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxypyridine-2-carboxamide has a molecular weight of 468.46 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 155816359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).