2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid

C18H15NO3S — CID 86776513

IUPAC2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OCc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H15NO3S/c20-17(21)10-13-6-8-16(9-7-13)22-11-15-12-23-18(19-15)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,20,21)
InChIKeyPMOSTFANXOPOFJ-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.02
Rot. Bonds6

About 2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid

2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid (PubChem CID 86776513) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid
PubChem CID86776513
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Name2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OCc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H15NO3S/c20-17(21)10-13-6-8-16(9-7-13)22-11-15-12-23-18(19-15)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,20,21)
InChIKeyPMOSTFANXOPOFJ-UHFFFAOYSA-N
XLogP4.02
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68884558
3-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]butanoic acid
CID 70842823
2-[2-[4-[(4-phenylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate
CID 7745304
2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20992073
1-[4-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]phenyl]ethanol
CID 18956566
2-[2-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20988616
methyl (4Z)-4-phenyl-4-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxyimino]butanoate
CID 86589820
4-(chloromethyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 43322647
2-[2-[4-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 22680899
2-[2-[4-[(2-chlorophenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 4980528
2-[2-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20987846
2-[4-(phenoxymethyl)phenyl]acetic acid
CID 12832053

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid (CID 86776513) is 2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid is O=C(O)Cc1ccc(OCc2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid?
The InChIKey is PMOSTFANXOPOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c20-17(21)10-13-6-8-16(9-7-13)22-11-15-12-23-18(19-15)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,20,21).
What are the key properties of 2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid?
2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid has a molecular weight of 325.39 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid is sourced from PubChem (CID 86776513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).