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

C25H21NO4S — CID 5128355

IUPAC2-[4-[2,4-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc(OCc3ccccc3)cc2OCc2ccccc2)cs1
InChIInChI=1S/C25H21NO4S/c27-25(28)14-24-26-22(17-31-24)21-12-11-20(29-15-18-7-3-1-4-8-18)13-23(21)30-16-19-9-5-2-6-10-19/h1-13,17H,14-16H2,(H,27,28)
InChIKeyRKMKJUGTOQFYJC-UHFFFAOYSA-N
MW431.51 g/mol
LogP5.60
Rot. Bonds9

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

2-[4-[2,4-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-yl]acetic acid (PubChem CID 5128355) has the molecular formula C25H21NO4S and a molecular weight of 431.51 g/mol. Its IUPAC name is 2-[4-[2,4-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2,4-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-yl]acetic acid
PubChem CID5128355
Molecular FormulaC25H21NO4S
Molecular Weight431.51 g/mol
Exact Mass431.12
IUPAC Name2-[4-[2,4-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc(OCc3ccccc3)cc2OCc2ccccc2)cs1
InChIInChI=1S/C25H21NO4S/c27-25(28)14-24-26-22(17-31-24)21-12-11-20(29-15-18-7-3-1-4-8-18)13-23(21)30-16-19-9-5-2-6-10-19/h1-13,17H,14-16H2,(H,27,28)
InChIKeyRKMKJUGTOQFYJC-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

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Related Compounds

[4-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine
CID 3932194
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
4-[[4-(2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]benzoic acid
CID 58127521
3-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-amine
CID 3332846
2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 3962693
2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetic acid
CID 5228414
methyl 5-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 154791660
2-[4-(4,5-dimethyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4536558
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415
2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4566516
3-(5-phenylmethoxy-1-benzothiophen-3-yl)propanoic acid
CID 19696816
4-(2-methyl-4-phenylmethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 5236069

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2,4-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-yl]acetic acid?
The IUPAC name of 2-[4-[2,4-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-yl]acetic acid (CID 5128355) is 2-[4-[2,4-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2,4-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2,4-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-yl]acetic acid is O=C(O)Cc1nc(-c2ccc(OCc3ccccc3)cc2OCc2ccccc2)cs1.
What is the InChIKey of 2-[4-[2,4-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-yl]acetic acid?
The InChIKey is RKMKJUGTOQFYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO4S/c27-25(28)14-24-26-22(17-31-24)21-12-11-20(29-15-18-7-3-1-4-8-18)13-23(21)30-16-19-9-5-2-6-10-19/h1-13,17H,14-16H2,(H,27,28).
What are the key properties of 2-[4-[2,4-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-yl]acetic acid?
2-[4-[2,4-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-yl]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-[4-[2,4-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-yl]acetic acid is sourced from PubChem (CID 5128355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).