2-[2-[2-(2-ethoxyphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid

C16H19NO4S — CID 94760749

IUPAC2-[2-[2-(2-ethoxyphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCCOc1ccccc1OCCc1nc(C)c(CC(=O)O)s1
InChIInChI=1S/C16H19NO4S/c1-3-20-12-6-4-5-7-13(12)21-9-8-15-17-11(2)14(22-15)10-16(18)19/h4-7H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyDUDLNFIQKGAHRQ-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.10
Rot. Bonds8

About 2-[2-[2-(2-ethoxyphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid

2-[2-[2-(2-ethoxyphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 94760749) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-[2-[2-(2-ethoxyphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(2-ethoxyphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
PubChem CID94760749
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC Name2-[2-[2-(2-ethoxyphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCCOc1ccccc1OCCc1nc(C)c(CC(=O)O)s1
InChIInChI=1S/C16H19NO4S/c1-3-20-12-6-4-5-7-13(12)21-9-8-15-17-11(2)14(22-15)10-16(18)19/h4-7H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyDUDLNFIQKGAHRQ-UHFFFAOYSA-N
XLogP3.10
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-methyl-2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 94760741
2-[4-methyl-2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-5-yl]acetic acid
CID 82154417
2-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64663104
2-[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64661687
4-methyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 4874792
2-(4-methyl-2-pentyl-1,3-thiazol-5-yl)acetic acid
CID 82054967
2-[2-[3-(3,4-dimethylphenoxy)propyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 94760737
2-[(2-ethoxyphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980798
4-methyl-2-[2-(2-phenylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 4874789
2-[2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazol-4-yl]acetate
CID 7745513
3-[4-methyl-2-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-5-yl]propanoic acid
CID 82154423
5-ethyl-2-(2-phenoxyethyl)-1,3-thiazole-4-carboxylic acid
CID 117098876

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-ethoxyphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[2-(2-ethoxyphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid (CID 94760749) is 2-[2-[2-(2-ethoxyphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(2-ethoxyphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(2-ethoxyphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid is CCOc1ccccc1OCCc1nc(C)c(CC(=O)O)s1.
What is the InChIKey of 2-[2-[2-(2-ethoxyphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is DUDLNFIQKGAHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-3-20-12-6-4-5-7-13(12)21-9-8-15-17-11(2)14(22-15)10-16(18)19/h4-7H,3,8-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-[2-(2-ethoxyphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid?
2-[2-[2-(2-ethoxyphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 321.40 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-ethoxyphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 94760749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).