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

C19H17NO4S — CID 20987236

IUPAC2-[4-methoxy-2-(2-phenylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(-c2nc(C(=O)O)cs2)c(OCCc2ccccc2)c1
InChIInChI=1S/C19H17NO4S/c1-23-14-7-8-15(18-20-16(12-25-18)19(21)22)17(11-14)24-10-9-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,21,22)
InChIKeyYLSNRTQKXHQDFZ-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.14
Rot. Bonds7

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

2-[4-methoxy-2-(2-phenylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 20987236) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[4-methoxy-2-(2-phenylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-methoxy-2-(2-phenylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
PubChem CID20987236
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Name2-[4-methoxy-2-(2-phenylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(-c2nc(C(=O)O)cs2)c(OCCc2ccccc2)c1
InChIInChI=1S/C19H17NO4S/c1-23-14-7-8-15(18-20-16(12-25-18)19(21)22)17(11-14)24-10-9-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,21,22)
InChIKeyYLSNRTQKXHQDFZ-UHFFFAOYSA-N
XLogP4.14
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(4-methoxyphenoxy)methyl]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39158618
2-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 42865737
2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140171
2-[2-[4-methoxy-2-[2-(4-methylphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20991049
4-ethyl-2-[4-methoxy-2-(2-phenoxyethoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 22683211
2-[2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20984485
2-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82303210
2-[2-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20988281
2-[4-[2-(2-chlorophenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20991355
2-[4-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20992743
2-(4-methoxyphenyl)-N-methyl-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 55710289
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-2-(2-phenylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[4-methoxy-2-(2-phenylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid (CID 20987236) is 2-[4-methoxy-2-(2-phenylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[4-methoxy-2-(2-phenylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[4-methoxy-2-(2-phenylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid is COc1ccc(-c2nc(C(=O)O)cs2)c(OCCc2ccccc2)c1.
What is the InChIKey of 2-[4-methoxy-2-(2-phenylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is YLSNRTQKXHQDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c1-23-14-7-8-15(18-20-16(12-25-18)19(21)22)17(11-14)24-10-9-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,21,22).
What are the key properties of 2-[4-methoxy-2-(2-phenylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
2-[4-methoxy-2-(2-phenylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 355.42 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-2-(2-phenylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 20987236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).