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

C13H13NO3S — CID 114360827

IUPAC4-cyclopropyl-2-(5-ethylfuran-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1ccc(-c2nc(C3CC3)c(C(=O)O)s2)o1
InChIInChI=1S/C13H13NO3S/c1-2-8-5-6-9(17-8)12-14-10(7-3-4-7)11(18-12)13(15)16/h5-7H,2-4H2,1H3,(H,15,16)
InChIKeyTUGVWGRZIICIIV-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.54
Rot. Bonds4

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

4-cyclopropyl-2-(5-ethylfuran-2-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114360827) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-cyclopropyl-2-(5-ethylfuran-2-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(5-ethylfuran-2-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID114360827
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name4-cyclopropyl-2-(5-ethylfuran-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1ccc(-c2nc(C3CC3)c(C(=O)O)s2)o1
InChIInChI=1S/C13H13NO3S/c1-2-8-5-6-9(17-8)12-14-10(7-3-4-7)11(18-12)13(15)16/h5-7H,2-4H2,1H3,(H,15,16)
InChIKeyTUGVWGRZIICIIV-UHFFFAOYSA-N
XLogP3.54
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid
CID 114360155
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-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 62345779
4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazole-5-carboxylic acid
CID 114360260
2-(3-bromofuran-2-yl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 106886088
4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98028668
4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226918
4-cyclopropyl-2-(3,5-difluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 114360248
4-cyclopropyl-2-(1,3-thiazol-5-yl)-1,3-thiazole-5-carboxylic acid
CID 114360208
4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 107920329
2-ethyl-5-(5-ethylfuran-2-yl)-1,3-thiazole-4-carboxylic acid
CID 106510717

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(5-ethylfuran-2-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(5-ethylfuran-2-yl)-1,3-thiazole-5-carboxylic acid (CID 114360827) is 4-cyclopropyl-2-(5-ethylfuran-2-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(5-ethylfuran-2-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(5-ethylfuran-2-yl)-1,3-thiazole-5-carboxylic acid is CCc1ccc(-c2nc(C3CC3)c(C(=O)O)s2)o1.
What is the InChIKey of 4-cyclopropyl-2-(5-ethylfuran-2-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is TUGVWGRZIICIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-2-8-5-6-9(17-8)12-14-10(7-3-4-7)11(18-12)13(15)16/h5-7H,2-4H2,1H3,(H,15,16).
What are the key properties of 4-cyclopropyl-2-(5-ethylfuran-2-yl)-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-(5-ethylfuran-2-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 263.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(5-ethylfuran-2-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114360827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).