5-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one

C18H17NO3S — CID 91934015

IUPAC5-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESCc1cccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)c1C
InChIInChI=1S/C18H17NO3S/c1-11-4-3-5-15(12(11)2)22-14-8-6-13(7-9-14)10-16-17(20)19-18(21)23-16/h3-9,20H,10H2,1-2H3,(H,19,21)
InChIKeyFLJFJEJINAIYRW-UHFFFAOYSA-N
MW327.41 g/mol
LogP4.14
Rot. Bonds4

About 5-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one

5-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one (PubChem CID 91934015) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 5-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
PubChem CID91934015
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name5-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESCc1cccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)c1C
InChIInChI=1S/C18H17NO3S/c1-11-4-3-5-15(12(11)2)22-14-8-6-13(7-9-14)10-16-17(20)19-18(21)23-16/h3-9,20H,10H2,1-2H3,(H,19,21)
InChIKeyFLJFJEJINAIYRW-UHFFFAOYSA-N
XLogP4.14
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one (CID 91934015) is 5-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one is Cc1cccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)c1C.
What is the InChIKey of 5-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The InChIKey is FLJFJEJINAIYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-11-4-3-5-15(12(11)2)22-14-8-6-13(7-9-14)10-16-17(20)19-18(21)23-16/h3-9,20H,10H2,1-2H3,(H,19,21).
What are the key properties of 5-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
5-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one has a molecular weight of 327.41 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one is sourced from PubChem (CID 91934015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).