2-[2-[4-[(4-phenylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate

C24H18NO3S- — CID 7745304

IUPAC2-[2-[4-[(4-phenylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate
SMILESO=C([O-])Cc1csc(-c2ccc(COc3ccc(-c4ccccc4)cc3)cc2)n1
InChIInChI=1S/C24H19NO3S/c26-23(27)14-21-16-29-24(25-21)20-8-6-17(7-9-20)15-28-22-12-10-19(11-13-22)18-4-2-1-3-5-18/h1-13,16H,14-15H2,(H,26,27)/p-1
InChIKeyAAOYGQIDIIXTKM-UHFFFAOYSA-M
MW400.48 g/mol
LogP4.35
Rot. Bonds7

About 2-[2-[4-[(4-phenylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate

2-[2-[4-[(4-phenylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate (PubChem CID 7745304) has the molecular formula C24H18NO3S- and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[2-[4-[(4-phenylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name2-[2-[4-[(4-phenylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate
PubChem CID7745304
Molecular FormulaC24H18NO3S-
Molecular Weight400.48 g/mol
Exact Mass400.10
IUPAC Name2-[2-[4-[(4-phenylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate
SMILESO=C([O-])Cc1csc(-c2ccc(COc3ccc(-c4ccccc4)cc3)cc2)n1
InChIInChI=1S/C24H19NO3S/c26-23(27)14-21-16-29-24(25-21)20-8-6-17(7-9-20)15-28-22-12-10-19(11-13-22)18-4-2-1-3-5-18/h1-13,16H,14-15H2,(H,26,27)/p-1
InChIKeyAAOYGQIDIIXTKM-UHFFFAOYSA-M
XLogP4.35
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

sodium 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 4671727
2-[2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68884558
2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid
CID 86776513
2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20992073
4-(chloromethyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 43322647
2-[2-[4-[(2-chlorophenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 4980528
2-[2-[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate
CID 7745299
1-[4-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]phenyl]ethanol
CID 18956566
2-[2-[4-[(2,3-dimethylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 4980523
2-[2-[4-[(diethylazaniumyl)methyl]phenyl]-1,3-thiazol-4-yl]acetate
CID 39159760
3-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]butanoic acid
CID 70842823
2-[2-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20988616

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(4-phenylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of 2-[2-[4-[(4-phenylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate (CID 7745304) is 2-[2-[4-[(4-phenylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for 2-[2-[4-[(4-phenylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for 2-[2-[4-[(4-phenylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate is O=C([O-])Cc1csc(-c2ccc(COc3ccc(-c4ccccc4)cc3)cc2)n1.
What is the InChIKey of 2-[2-[4-[(4-phenylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is AAOYGQIDIIXTKM-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H19NO3S/c26-23(27)14-21-16-29-24(25-21)20-8-6-17(7-9-20)15-28-22-12-10-19(11-13-22)18-4-2-1-3-5-18/h1-13,16H,14-15H2,(H,26,27)/p-1.
What are the key properties of 2-[2-[4-[(4-phenylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate?
2-[2-[4-[(4-phenylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 400.48 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(4-phenylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 7745304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).