2-[(4-phenylphenyl)methoxy]-1,3-thiazole-4-carboxylic acid

C17H13NO3S — CID 155391814

IUPAC2-[(4-phenylphenyl)methoxy]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(OCc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C17H13NO3S/c19-16(20)15-11-22-17(18-15)21-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,19,20)
InChIKeyHWUPLJXHOZTWIE-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.09
Rot. Bonds5

About 2-[(4-phenylphenyl)methoxy]-1,3-thiazole-4-carboxylic acid

2-[(4-phenylphenyl)methoxy]-1,3-thiazole-4-carboxylic acid (PubChem CID 155391814) has the molecular formula C17H13NO3S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-[(4-phenylphenyl)methoxy]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-phenylphenyl)methoxy]-1,3-thiazole-4-carboxylic acid
PubChem CID155391814
Molecular FormulaC17H13NO3S
Molecular Weight311.36 g/mol
Exact Mass311.06
IUPAC Name2-[(4-phenylphenyl)methoxy]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(OCc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C17H13NO3S/c19-16(20)15-11-22-17(18-15)21-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,19,20)
InChIKeyHWUPLJXHOZTWIE-UHFFFAOYSA-N
XLogP4.09
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-phenylphenyl)methoxy]-1,2,4-thiadiazole-3-carboxylic acid
CID 155391788
2-[4-[(4-bromophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20988562
2-[5-(4-phenylphenyl)pentanoyl]-1,3-thiazole-4-carboxylic acid
CID 51041859
5,6-bis(phenylmethoxy)pyridine-2-carboxylic acid
CID 166479827
(4-phenylphenyl)methyl pyridine-2-carboxylate
CID 7477623
2-[3-(2-phenylmethoxyphenyl)propyl]-1,3-thiazole-4-carboxylic acid
CID 18973803
2-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 42865737
2-[2-[4-[(4-phenylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate
CID 7745304
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 4962607
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20984187
2-[3-[(4-methoxyphenoxy)methyl]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39158618
2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20992347

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylphenyl)methoxy]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(4-phenylphenyl)methoxy]-1,3-thiazole-4-carboxylic acid (CID 155391814) is 2-[(4-phenylphenyl)methoxy]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(4-phenylphenyl)methoxy]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(4-phenylphenyl)methoxy]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(OCc2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 2-[(4-phenylphenyl)methoxy]-1,3-thiazole-4-carboxylic acid?
The InChIKey is HWUPLJXHOZTWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3S/c19-16(20)15-11-22-17(18-15)21-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,19,20).
What are the key properties of 2-[(4-phenylphenyl)methoxy]-1,3-thiazole-4-carboxylic acid?
2-[(4-phenylphenyl)methoxy]-1,3-thiazole-4-carboxylic acid has a molecular weight of 311.36 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylphenyl)methoxy]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 155391814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).