2-[2-(3-chlorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid

C12H10ClNO3S — CID 82191168

IUPAC2-[2-(3-chlorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(CCOc2cccc(Cl)c2)s1
InChIInChI=1S/C12H10ClNO3S/c13-8-2-1-3-9(6-8)17-5-4-11-14-7-10(18-11)12(15)16/h1-3,6-7H,4-5H2,(H,15,16)
InChIKeyTWNNARVKQSYKBI-UHFFFAOYSA-N
MW283.74 g/mol
LogP3.12
Rot. Bonds5

About 2-[2-(3-chlorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid

2-[2-(3-chlorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 82191168) has the molecular formula C12H10ClNO3S and a molecular weight of 283.74 g/mol. Its IUPAC name is 2-[2-(3-chlorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(3-chlorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
PubChem CID82191168
Molecular FormulaC12H10ClNO3S
Molecular Weight283.74 g/mol
Exact Mass283.01
IUPAC Name2-[2-(3-chlorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(CCOc2cccc(Cl)c2)s1
InChIInChI=1S/C12H10ClNO3S/c13-8-2-1-3-9(6-8)17-5-4-11-14-7-10(18-11)12(15)16/h1-3,6-7H,4-5H2,(H,15,16)
InChIKeyTWNNARVKQSYKBI-UHFFFAOYSA-N
XLogP3.12
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191158
4-[2-(3-chlorophenoxy)ethoxy]thiophene-2-carboxylic acid
CID 66437353
2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
CID 82423883
5-[2-(3-chlorophenoxy)ethyl]-1,2-oxazole-3-carboxylic acid
CID 82092376
2-bromo-3-[2-(5-carboxy-1,3-thiazol-2-yl)ethyl]-4-(3-chlorophenyl)-2H-1,3-thiazole-5-carboxylic acid
CID 67211275
CID 131885829
CID 131885829
2-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 82423868
2-(3-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 62497635
5-chloro-2-[2-(3-chlorophenoxy)ethoxy]benzoic acid
CID 60651656
4-[(3-chlorophenoxy)methyl]-1,2-thiazole-5-carboxylic acid
CID 117216468
N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82190975
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[2-(3-chlorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid (CID 82191168) is 2-[2-(3-chlorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-(3-chlorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[2-(3-chlorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(CCOc2cccc(Cl)c2)s1.
What is the InChIKey of 2-[2-(3-chlorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is TWNNARVKQSYKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3S/c13-8-2-1-3-9(6-8)17-5-4-11-14-7-10(18-11)12(15)16/h1-3,6-7H,4-5H2,(H,15,16).
What are the key properties of 2-[2-(3-chlorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid?
2-[2-(3-chlorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 283.74 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82191168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).