2-phenyl-4-phenylmethoxy-1,3-thiazole-5-carboxylic acid

C17H13NO3S — CID 71610348

IUPAC2-phenyl-4-phenylmethoxy-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C17H13NO3S/c19-17(20)14-15(21-11-12-7-3-1-4-8-12)18-16(22-14)13-9-5-2-6-10-13/h1-10H,11H2,(H,19,20)
InChIKeyLGJPWXQJFZLYNY-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.09
Rot. Bonds5

About 2-phenyl-4-phenylmethoxy-1,3-thiazole-5-carboxylic acid

2-phenyl-4-phenylmethoxy-1,3-thiazole-5-carboxylic acid (PubChem CID 71610348) has the molecular formula C17H13NO3S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-phenyl-4-phenylmethoxy-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-4-phenylmethoxy-1,3-thiazole-5-carboxylic acid
PubChem CID71610348
Molecular FormulaC17H13NO3S
Molecular Weight311.36 g/mol
Exact Mass311.06
IUPAC Name2-phenyl-4-phenylmethoxy-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C17H13NO3S/c19-17(20)14-15(21-11-12-7-3-1-4-8-12)18-16(22-14)13-9-5-2-6-10-13/h1-10H,11H2,(H,19,20)
InChIKeyLGJPWXQJFZLYNY-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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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-phenylmethoxy-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-phenyl-4-phenylmethoxy-1,3-thiazole-5-carboxylic acid (CID 71610348) is 2-phenyl-4-phenylmethoxy-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-phenyl-4-phenylmethoxy-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-phenyl-4-phenylmethoxy-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(-c2ccccc2)nc1OCc1ccccc1.
What is the InChIKey of 2-phenyl-4-phenylmethoxy-1,3-thiazole-5-carboxylic acid?
The InChIKey is LGJPWXQJFZLYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3S/c19-17(20)14-15(21-11-12-7-3-1-4-8-12)18-16(22-14)13-9-5-2-6-10-13/h1-10H,11H2,(H,19,20).
What are the key properties of 2-phenyl-4-phenylmethoxy-1,3-thiazole-5-carboxylic acid?
2-phenyl-4-phenylmethoxy-1,3-thiazole-5-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-phenyl-4-phenylmethoxy-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 71610348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).