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

C25H21NO4S — CID 68884558

IUPAC2-[2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1OCc1ccc(OCc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C25H21NO4S/c27-24(28)14-20-8-4-5-9-23(20)30-15-18-10-12-22(13-11-18)29-16-21-17-31-25(26-21)19-6-2-1-3-7-19/h1-13,17H,14-16H2,(H,27,28)
InChIKeyAIVOVFQNTNTCCN-UHFFFAOYSA-N
MW431.51 g/mol
LogP5.60
Rot. Bonds9

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

2-[2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid (PubChem CID 68884558) has the molecular formula C25H21NO4S and a molecular weight of 431.51 g/mol. Its IUPAC name is 2-[2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
PubChem CID68884558
Molecular FormulaC25H21NO4S
Molecular Weight431.51 g/mol
Exact Mass431.12
IUPAC Name2-[2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1OCc1ccc(OCc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C25H21NO4S/c27-24(28)14-20-8-4-5-9-23(20)30-15-18-10-12-22(13-11-18)29-16-21-17-31-25(26-21)19-6-2-1-3-7-19/h1-13,17H,14-16H2,(H,27,28)
InChIKeyAIVOVFQNTNTCCN-UHFFFAOYSA-N
XLogP5.60
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.51
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid
CID 86776513
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
2-[2-[4-[(2-chlorophenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 4980528
2-[2-[4-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 22680899
3-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]butanoic acid
CID 70842823
2-[2-[4-[(2,3-dimethylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 4980523
4-(chloromethyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 43322647
1-[4-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]phenyl]ethanol
CID 18956566
2-[2-[[4-[(2-phenyl-5-propyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68887056
methyl (4Z)-4-phenyl-4-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxyimino]butanoate
CID 86589820
[2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol
CID 78880752

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid (CID 68884558) is 2-[2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid is O=C(O)Cc1ccccc1OCc1ccc(OCc2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid?
The InChIKey is AIVOVFQNTNTCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO4S/c27-24(28)14-20-8-4-5-9-23(20)30-15-18-10-12-22(13-11-18)29-16-21-17-31-25(26-21)19-6-2-1-3-7-19/h1-13,17H,14-16H2,(H,27,28).
What are the key properties of 2-[2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid?
2-[2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid has a molecular weight of 431.51 g/mol, XLogP of 5.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid is sourced from PubChem (CID 68884558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).