2-[3-(2-phenylmethoxyphenyl)propyl]-1,3-thiazole-4-carboxylic acid

C20H19NO3S — CID 18973803

IUPAC2-[3-(2-phenylmethoxyphenyl)propyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CCCc2ccccc2OCc2ccccc2)n1
InChIInChI=1S/C20H19NO3S/c22-20(23)17-14-25-19(21-17)12-6-10-16-9-4-5-11-18(16)24-13-15-7-2-1-3-8-15/h1-5,7-9,11,14H,6,10,12-13H2,(H,22,23)
InChIKeyDZEVMQGDNZXXCW-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.60
Rot. Bonds8

About 2-[3-(2-phenylmethoxyphenyl)propyl]-1,3-thiazole-4-carboxylic acid

2-[3-(2-phenylmethoxyphenyl)propyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 18973803) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is 2-[3-(2-phenylmethoxyphenyl)propyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(2-phenylmethoxyphenyl)propyl]-1,3-thiazole-4-carboxylic acid
PubChem CID18973803
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC Name2-[3-(2-phenylmethoxyphenyl)propyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CCCc2ccccc2OCc2ccccc2)n1
InChIInChI=1S/C20H19NO3S/c22-20(23)17-14-25-19(21-17)12-6-10-16-9-4-5-11-18(16)24-13-15-7-2-1-3-8-15/h1-5,7-9,11,14H,6,10,12-13H2,(H,22,23)
InChIKeyDZEVMQGDNZXXCW-UHFFFAOYSA-N
XLogP4.60
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-ethoxyphenoxy)propyl]-1,3-thiazole-4-carboxylic acid
CID 94760687
2-(3-naphthalen-1-yloxypropyl)-1,3-thiazole-4-carboxylic acid
CID 94760695
5-[3-(2-phenylmethoxyphenyl)propyl]thiophene-2-carboxylic acid
CID 67764114
2-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxylic acid
CID 117187055
2-[2-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82295816
3-oxo-6-(2-phenylmethoxyphenyl)hexanoic acid
CID 70435741
2-benzyl-1,3-thiazole-4-carboxylic acid;ethane
CID 91419300
2-[[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic acid
CID 11979192
2-[3-(4-ethylphenoxy)propyl]-1,3-thiazole-4-carboxylic acid
CID 82054905
1-[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanone
CID 82516467
5,6-bis(phenylmethoxy)pyridine-2-carboxylic acid
CID 166479827
4-(2-phenylmethoxyphenyl)butan-2-one
CID 82184665

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-phenylmethoxyphenyl)propyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[3-(2-phenylmethoxyphenyl)propyl]-1,3-thiazole-4-carboxylic acid (CID 18973803) is 2-[3-(2-phenylmethoxyphenyl)propyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-(2-phenylmethoxyphenyl)propyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[3-(2-phenylmethoxyphenyl)propyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(CCCc2ccccc2OCc2ccccc2)n1.
What is the InChIKey of 2-[3-(2-phenylmethoxyphenyl)propyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is DZEVMQGDNZXXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c22-20(23)17-14-25-19(21-17)12-6-10-16-9-4-5-11-18(16)24-13-15-7-2-1-3-8-15/h1-5,7-9,11,14H,6,10,12-13H2,(H,22,23).
What are the key properties of 2-[3-(2-phenylmethoxyphenyl)propyl]-1,3-thiazole-4-carboxylic acid?
2-[3-(2-phenylmethoxyphenyl)propyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 353.44 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-phenylmethoxyphenyl)propyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 18973803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).