5-[(4-fluorophenyl)methoxy]-2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide

C18H15FN2O4S2 — CID 56971134

IUPAC5-[(4-fluorophenyl)methoxy]-2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide
SMILESCS(=O)c1csc(NC(=O)c2cc(OCc3ccc(F)cc3)ccc2O)n1
InChIInChI=1S/C18H15FN2O4S2/c1-27(24)16-10-26-18(20-16)21-17(23)14-8-13(6-7-15(14)22)25-9-11-2-4-12(19)5-3-11/h2-8,10,22H,9H2,1H3,(H,20,21,23)
InChIKeyIYAIKCWVAXYMIF-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.56
Rot. Bonds6

About 5-[(4-fluorophenyl)methoxy]-2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide

5-[(4-fluorophenyl)methoxy]-2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide (PubChem CID 56971134) has the molecular formula C18H15FN2O4S2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide
PubChem CID56971134
Molecular FormulaC18H15FN2O4S2
Molecular Weight406.46 g/mol
Exact Mass406.05
IUPAC Name5-[(4-fluorophenyl)methoxy]-2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide
SMILESCS(=O)c1csc(NC(=O)c2cc(OCc3ccc(F)cc3)ccc2O)n1
InChIInChI=1S/C18H15FN2O4S2/c1-27(24)16-10-26-18(20-16)21-17(23)14-8-13(6-7-15(14)22)25-9-11-2-4-12(19)5-3-11/h2-8,10,22H,9H2,1H3,(H,20,21,23)
InChIKeyIYAIKCWVAXYMIF-UHFFFAOYSA-N
XLogP3.56
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide (CID 56971134) is 5-[(4-fluorophenyl)methoxy]-2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide is CS(=O)c1csc(NC(=O)c2cc(OCc3ccc(F)cc3)ccc2O)n1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is IYAIKCWVAXYMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4S2/c1-27(24)16-10-26-18(20-16)21-17(23)14-8-13(6-7-15(14)22)25-9-11-2-4-12(19)5-3-11/h2-8,10,22H,9H2,1H3,(H,20,21,23).
What are the key properties of 5-[(4-fluorophenyl)methoxy]-2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide?
5-[(4-fluorophenyl)methoxy]-2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 406.46 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-2-hydroxy-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 56971134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).