4-hydroxy-5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one

C19H15F3N4O3S — CID 54051700

IUPAC4-hydroxy-5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
SMILESCn1c(COc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc2cc(C(F)(F)F)cnc21
InChIInChI=1S/C19H15F3N4O3S/c1-26-15(24-13-7-11(19(20,21)22)8-23-16(13)26)9-29-12-4-2-10(3-5-12)6-14-17(27)25-18(28)30-14/h2-5,7-8,27H,6,9H2,1H3,(H,25,28)
InChIKeyLTILJXZRPUCQCR-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.61
Rot. Bonds5

About 4-hydroxy-5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one

4-hydroxy-5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one (PubChem CID 54051700) has the molecular formula C19H15F3N4O3S and a molecular weight of 436.42 g/mol. Its IUPAC name is 4-hydroxy-5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
PubChem CID54051700
Molecular FormulaC19H15F3N4O3S
Molecular Weight436.42 g/mol
Exact Mass436.08
IUPAC Name4-hydroxy-5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
SMILESCn1c(COc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc2cc(C(F)(F)F)cnc21
InChIInChI=1S/C19H15F3N4O3S/c1-26-15(24-13-7-11(19(20,21)22)8-23-16(13)26)9-29-12-4-2-10(3-5-12)6-14-17(27)25-18(28)30-14/h2-5,7-8,27H,6,9H2,1H3,(H,25,28)
InChIKeyLTILJXZRPUCQCR-UHFFFAOYSA-N
XLogP3.61
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-hydroxy-5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one with MolForge

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Related Compounds

4-hydroxy-5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 54512423
4-hydroxy-5-[[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 91934034
N-[4-[2-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]methyl]-3-methylbenzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide
CID 90961005
3-chloro-N-[4-[2-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]methyl]-3-methylbenzimidazol-5-yl]oxyphenyl]benzamide
CID 91081582
4-hydroxy-5-[[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-2-yl]methyl]-3H-1,3-thiazol-2-one
CID 54495061
1-benzyl-3-[7-[2-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]methyl]-3-methylbenzimidazol-5-yl]oxynaphthalen-1-yl]thiourea
CID 91220832
5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 91934039
4-hydroxy-5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3-trityl-1,3-thiazol-2-one
CID 54565152
4-hydroxy-5-[[4-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]methyl]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 90913449
4-hydroxy-5-[[4-[(3-methyl-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3-trityl-1,3-thiazol-2-one
CID 54206680
5-[[4-[3-(1,3-benzoxazol-2-yloxy)propoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 54106589
4-hydroxy-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 57108917

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one (CID 54051700) is 4-hydroxy-5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one is Cn1c(COc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc2cc(C(F)(F)F)cnc21.
What is the InChIKey of 4-hydroxy-5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is LTILJXZRPUCQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O3S/c1-26-15(24-13-7-11(19(20,21)22)8-23-16(13)26)9-29-12-4-2-10(3-5-12)6-14-17(27)25-18(28)30-14/h2-5,7-8,27H,6,9H2,1H3,(H,25,28).
What are the key properties of 4-hydroxy-5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
4-hydroxy-5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 436.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 54051700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).