4-hydroxy-5-[[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3H-1,3-thiazol-2-one

C17H13F3N2O3S — CID 91934034

IUPAC4-hydroxy-5-[[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3H-1,3-thiazol-2-one
SMILESCc1cc(C(F)(F)F)cc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)n1
InChIInChI=1S/C17H13F3N2O3S/c1-9-6-11(17(18,19)20)8-14(21-9)25-12-4-2-10(3-5-12)7-13-15(23)22-16(24)26-13/h2-6,8,23H,7H2,1H3,(H,22,24)
InChIKeyAQTYILIANXMXGV-UHFFFAOYSA-N
MW382.36 g/mol
LogP4.25
Rot. Bonds4

About 4-hydroxy-5-[[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3H-1,3-thiazol-2-one

4-hydroxy-5-[[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3H-1,3-thiazol-2-one (PubChem CID 91934034) has the molecular formula C17H13F3N2O3S and a molecular weight of 382.36 g/mol. Its IUPAC name is 4-hydroxy-5-[[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3H-1,3-thiazol-2-one
PubChem CID91934034
Molecular FormulaC17H13F3N2O3S
Molecular Weight382.36 g/mol
Exact Mass382.06
IUPAC Name4-hydroxy-5-[[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3H-1,3-thiazol-2-one
SMILESCc1cc(C(F)(F)F)cc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)n1
InChIInChI=1S/C17H13F3N2O3S/c1-9-6-11(17(18,19)20)8-14(21-9)25-12-4-2-10(3-5-12)7-13-15(23)22-16(24)26-13/h2-6,8,23H,7H2,1H3,(H,22,24)
InChIKeyAQTYILIANXMXGV-UHFFFAOYSA-N
XLogP4.25
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3H-1,3-thiazol-2-one (CID 91934034) is 4-hydroxy-5-[[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3H-1,3-thiazol-2-one is Cc1cc(C(F)(F)F)cc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)n1.
What is the InChIKey of 4-hydroxy-5-[[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is AQTYILIANXMXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3S/c1-9-6-11(17(18,19)20)8-14(21-9)25-12-4-2-10(3-5-12)7-13-15(23)22-16(24)26-13/h2-6,8,23H,7H2,1H3,(H,22,24).
What are the key properties of 4-hydroxy-5-[[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
4-hydroxy-5-[[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 382.36 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 91934034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).