1-(4-methyl-1,3-thiazol-2-yl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]pyridin-2-one

C15H11F3N2O3S — CID 141191263

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]pyridin-2-one
SMILESCc1csc(-n2ccc(OCc3ccc(C(F)(F)F)o3)cc2=O)n1
InChIInChI=1S/C15H11F3N2O3S/c1-9-8-24-14(19-9)20-5-4-10(6-13(20)21)22-7-11-2-3-12(23-11)15(16,17)18/h2-6,8H,7H2,1H3
InChIKeyBRHJNEVJOMYZGU-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.79
Rot. Bonds4

About 1-(4-methyl-1,3-thiazol-2-yl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]pyridin-2-one

1-(4-methyl-1,3-thiazol-2-yl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]pyridin-2-one (PubChem CID 141191263) has the molecular formula C15H11F3N2O3S and a molecular weight of 356.33 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]pyridin-2-one
PubChem CID141191263
Molecular FormulaC15H11F3N2O3S
Molecular Weight356.33 g/mol
Exact Mass356.04
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]pyridin-2-one
SMILESCc1csc(-n2ccc(OCc3ccc(C(F)(F)F)o3)cc2=O)n1
InChIInChI=1S/C15H11F3N2O3S/c1-9-8-24-14(19-9)20-5-4-10(6-13(20)21)22-7-11-2-3-12(23-11)15(16,17)18/h2-6,8H,7H2,1H3
InChIKeyBRHJNEVJOMYZGU-UHFFFAOYSA-N
XLogP3.79
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]pyridin-2-one?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]pyridin-2-one (CID 141191263) is 1-(4-methyl-1,3-thiazol-2-yl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]pyridin-2-one.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]pyridin-2-one?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]pyridin-2-one is Cc1csc(-n2ccc(OCc3ccc(C(F)(F)F)o3)cc2=O)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]pyridin-2-one?
The InChIKey is BRHJNEVJOMYZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3S/c1-9-8-24-14(19-9)20-5-4-10(6-13(20)21)22-7-11-2-3-12(23-11)15(16,17)18/h2-6,8H,7H2,1H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]pyridin-2-one?
1-(4-methyl-1,3-thiazol-2-yl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]pyridin-2-one has a molecular weight of 356.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-4-[[5-(trifluoromethyl)furan-2-yl]methoxy]pyridin-2-one is sourced from PubChem (CID 141191263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).