2-[4-(2-prop-2-enylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid

C19H15NO3S — CID 22681836

IUPAC2-[4-(2-prop-2-enylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid
SMILESC=CCc1ccccc1Oc1ccc(-c2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C19H15NO3S/c1-2-5-13-6-3-4-7-17(13)23-15-10-8-14(9-11-15)18-20-16(12-24-18)19(21)22/h2-4,6-12H,1,5H2,(H,21,22)
InChIKeyWWGHEDHFQFZNRD-UHFFFAOYSA-N
MW337.40 g/mol
LogP5.03
Rot. Bonds6

About 2-[4-(2-prop-2-enylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid

2-[4-(2-prop-2-enylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 22681836) has the molecular formula C19H15NO3S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-[4-(2-prop-2-enylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(2-prop-2-enylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid
PubChem CID22681836
Molecular FormulaC19H15NO3S
Molecular Weight337.40 g/mol
Exact Mass337.08
IUPAC Name2-[4-(2-prop-2-enylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid
SMILESC=CCc1ccccc1Oc1ccc(-c2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C19H15NO3S/c1-2-5-13-6-3-4-7-17(13)23-15-10-8-14(9-11-15)18-20-16(12-24-18)19(21)22/h2-4,6-12H,1,5H2,(H,21,22)
InChIKeyWWGHEDHFQFZNRD-UHFFFAOYSA-N
XLogP5.03
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.40
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 22680899
2-[4-(4-methylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 20987125
phenyl-[4-(2-prop-2-enylphenoxy)phenyl]methanone
CID 68914261
2-[4-[2-(2-chlorophenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20991355
2-[4-(2,4-dichlorophenoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 22680662
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
2-[4-[2-(4-fluorophenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22679862
2-[4-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20992743
2-[4-[[bis(prop-2-enyl)amino]methyl]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39160338
N-phenyl-2-(4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42865771
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
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-(2-prop-2-enylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[4-(2-prop-2-enylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid (CID 22681836) is 2-[4-(2-prop-2-enylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[4-(2-prop-2-enylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[4-(2-prop-2-enylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid is C=CCc1ccccc1Oc1ccc(-c2nc(C(=O)O)cs2)cc1.
What is the InChIKey of 2-[4-(2-prop-2-enylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is WWGHEDHFQFZNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3S/c1-2-5-13-6-3-4-7-17(13)23-15-10-8-14(9-11-15)18-20-16(12-24-18)19(21)22/h2-4,6-12H,1,5H2,(H,21,22).
What are the key properties of 2-[4-(2-prop-2-enylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
2-[4-(2-prop-2-enylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 337.40 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-prop-2-enylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 22681836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).