N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide

C19H20F3N5O3S — CID 75164856

IUPACN-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide
SMILESCOc1ccc2nc(NC(=O)C(CC3CCOCC3)n3cnc(C(F)(F)F)c3)sc2n1
InChIInChI=1S/C19H20F3N5O3S/c1-29-15-3-2-12-17(25-15)31-18(24-12)26-16(28)13(8-11-4-6-30-7-5-11)27-9-14(23-10-27)19(20,21)22/h2-3,9-11,13H,4-8H2,1H3,(H,24,26,28)
InChIKeyFYKIVTZKICIJCX-UHFFFAOYSA-N
MW455.46 g/mol
LogP3.91
Rot. Bonds6

About N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide

N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide (PubChem CID 75164856) has the molecular formula C19H20F3N5O3S and a molecular weight of 455.46 g/mol. Its IUPAC name is N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide
PubChem CID75164856
Molecular FormulaC19H20F3N5O3S
Molecular Weight455.46 g/mol
Exact Mass455.12
IUPAC NameN-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide
SMILESCOc1ccc2nc(NC(=O)C(CC3CCOCC3)n3cnc(C(F)(F)F)c3)sc2n1
InChIInChI=1S/C19H20F3N5O3S/c1-29-15-3-2-12-17(25-15)31-18(24-12)26-16(28)13(8-11-4-6-30-7-5-11)27-9-14(23-10-27)19(20,21)22/h2-3,9-11,13H,4-8H2,1H3,(H,24,26,28)
InChIKeyFYKIVTZKICIJCX-UHFFFAOYSA-N
XLogP3.91
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide
CID 46181747
2-[4-(4-chlorophenyl)sulfonylpyrazol-1-yl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide
CID 44513139
2-[4-(4-methoxy-2-methylbutan-2-yl)sulfonyl-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide
CID 24961079
2-[4-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide
CID 76587228
methyl 3-cyclopentyl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoate
CID 67130816
(3R)-3-(3-cyclopropylsulfonylpyrazol-1-yl)-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(oxan-4-yl)butan-2-one
CID 157422734
6-[[(2S)-3-cyclopentyl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoyl]amino]-2-methylpyridine-3-carboxylic acid
CID 71080363
3-cyclopentyl-2-[4-[cyclopropyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
CID 11642856
2-[4-[carbamoyl(ethyl)sulfamoyl]phenyl]-3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
CID 87236117
3-cyclopentyl-2-[4-[ethyl(methoxy)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
CID 87236215
3-cyclopentyl-2-[4-[di(propan-2-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
CID 11599178
2-[[4-[(2R)-3-cyclopentyl-1-[(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-1-oxopropan-2-yl]phenyl]sulfonylamino]-2-methylpropanoic acid
CID 87782178

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide?
The IUPAC name of N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide (CID 75164856) is N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide.
What is the SMILES notation for N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide?
The canonical SMILES for N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide is COc1ccc2nc(NC(=O)C(CC3CCOCC3)n3cnc(C(F)(F)F)c3)sc2n1.
What is the InChIKey of N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide?
The InChIKey is FYKIVTZKICIJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O3S/c1-29-15-3-2-12-17(25-15)31-18(24-12)26-16(28)13(8-11-4-6-30-7-5-11)27-9-14(23-10-27)19(20,21)22/h2-3,9-11,13H,4-8H2,1H3,(H,24,26,28).
What are the key properties of N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide?
N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide has a molecular weight of 455.46 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide is sourced from PubChem (CID 75164856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).