4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazole-5-carboxylic acid

C15H15NO3S — CID 98028668

IUPAC4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCCOc1cccc(-c2nc(C3CC3)c(C(=O)O)s2)c1
InChIInChI=1S/C15H15NO3S/c1-2-19-11-5-3-4-10(8-11)14-16-12(9-6-7-9)13(20-14)15(17)18/h3-5,8-9H,2,6-7H2,1H3,(H,17,18)
InChIKeyHDMZWXJACRXTRB-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.78
Rot. Bonds5

About 4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazole-5-carboxylic acid

4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 98028668) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID98028668
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCCOc1cccc(-c2nc(C3CC3)c(C(=O)O)s2)c1
InChIInChI=1S/C15H15NO3S/c1-2-19-11-5-3-4-10(8-11)14-16-12(9-6-7-9)13(20-14)15(17)18/h3-5,8-9H,2,6-7H2,1H3,(H,17,18)
InChIKeyHDMZWXJACRXTRB-UHFFFAOYSA-N
XLogP3.78
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethanone
CID 82437284
[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]methanethiol
CID 82437280
2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 98022837
4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98019165
4-cyclopropyl-2-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82488839
2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82437265
N-[[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82437255
4-cyclopropyl-2-(3,5-difluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 114360248
(E)-3-[2-(3-ethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82430052
4-tert-butyl-2-(3-cyclopropylphenyl)-1,3-thiazole-5-carboxylic acid
CID 114360605
4-methyl-2-[3-(2-phenylethoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20991003
4-methyl-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20984058

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazole-5-carboxylic acid (CID 98028668) is 4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazole-5-carboxylic acid is CCOc1cccc(-c2nc(C3CC3)c(C(=O)O)s2)c1.
What is the InChIKey of 4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is HDMZWXJACRXTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-2-19-11-5-3-4-10(8-11)14-16-12(9-6-7-9)13(20-14)15(17)18/h3-5,8-9H,2,6-7H2,1H3,(H,17,18).
What are the key properties of 4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 289.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 98028668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).