5-ethyl-2-(2-phenoxyethyl)-1,3-thiazole-4-carboxylic acid

C14H15NO3S — CID 117098876

IUPAC5-ethyl-2-(2-phenoxyethyl)-1,3-thiazole-4-carboxylic acid
SMILESCCc1sc(CCOc2ccccc2)nc1C(=O)O
InChIInChI=1S/C14H15NO3S/c1-2-11-13(14(16)17)15-12(19-11)8-9-18-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,16,17)
InChIKeyGRVVDPONYCMWAS-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.03
Rot. Bonds6

About 5-ethyl-2-(2-phenoxyethyl)-1,3-thiazole-4-carboxylic acid

5-ethyl-2-(2-phenoxyethyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 117098876) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is 5-ethyl-2-(2-phenoxyethyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-2-(2-phenoxyethyl)-1,3-thiazole-4-carboxylic acid
PubChem CID117098876
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Name5-ethyl-2-(2-phenoxyethyl)-1,3-thiazole-4-carboxylic acid
SMILESCCc1sc(CCOc2ccccc2)nc1C(=O)O
InChIInChI=1S/C14H15NO3S/c1-2-11-13(14(16)17)15-12(19-11)8-9-18-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,16,17)
InChIKeyGRVVDPONYCMWAS-UHFFFAOYSA-N
XLogP3.03
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid
CID 117098878
2-(2-aminoethyl)-5-ethyl-1,3-thiazole-4-carboxylic acid
CID 83531807
2-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82429708
N-[[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82429699
5-methyl-2-(phenoxymethyl)-1,3-thiazole-4-carboxylic acid
CID 80503554
2-[4-methyl-2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-5-yl]acetic acid
CID 82154417
4-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethoxy]benzoic acid
CID 83967534
2-benzyl-5-propyl-1,3-thiazole-4-carboxylic acid
CID 117098907
2-[(dimethylamino)methyl]-5-ethyl-1,3-thiazole-4-carboxylic acid
CID 70211359
2-[3-[2-(2,5-diethyl-1,3-thiazol-4-yl)ethoxy]phenyl]acetic acid
CID 58859470
2-[2-[2-(2-ethoxyphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 94760749
1-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]ethanamine
CID 82429713

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-phenoxyethyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-ethyl-2-(2-phenoxyethyl)-1,3-thiazole-4-carboxylic acid (CID 117098876) is 5-ethyl-2-(2-phenoxyethyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-ethyl-2-(2-phenoxyethyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-ethyl-2-(2-phenoxyethyl)-1,3-thiazole-4-carboxylic acid is CCc1sc(CCOc2ccccc2)nc1C(=O)O.
What is the InChIKey of 5-ethyl-2-(2-phenoxyethyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is GRVVDPONYCMWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-2-11-13(14(16)17)15-12(19-11)8-9-18-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,16,17).
What are the key properties of 5-ethyl-2-(2-phenoxyethyl)-1,3-thiazole-4-carboxylic acid?
5-ethyl-2-(2-phenoxyethyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 277.34 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-phenoxyethyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 117098876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).