5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]furan-2-carboxylic acid

C18H17NO5S — CID 10451079

IUPAC5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]furan-2-carboxylic acid
SMILESCCOc1ccc(-c2nc(-c3ccc(C(=O)O)o3)cs2)cc1OCC
InChIInChI=1S/C18H17NO5S/c1-3-22-14-6-5-11(9-16(14)23-4-2)17-19-12(10-25-17)13-7-8-15(24-13)18(20)21/h5-10H,3-4H2,1-2H3,(H,20,21)
InChIKeySCVLZHVEWHHWFF-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.57
Rot. Bonds7

About 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]furan-2-carboxylic acid

5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]furan-2-carboxylic acid (PubChem CID 10451079) has the molecular formula C18H17NO5S and a molecular weight of 359.40 g/mol. Its IUPAC name is 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]furan-2-carboxylic acid
PubChem CID10451079
Molecular FormulaC18H17NO5S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC Name5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]furan-2-carboxylic acid
SMILESCCOc1ccc(-c2nc(-c3ccc(C(=O)O)o3)cs2)cc1OCC
InChIInChI=1S/C18H17NO5S/c1-3-22-14-6-5-11(9-16(14)23-4-2)17-19-12(10-25-17)13-7-8-15(24-13)18(20)21/h5-10H,3-4H2,1-2H3,(H,20,21)
InChIKeySCVLZHVEWHHWFF-UHFFFAOYSA-N
XLogP4.57
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]furan-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]furan-2-carboxylic acid?
The IUPAC name of 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]furan-2-carboxylic acid (CID 10451079) is 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]furan-2-carboxylic acid is CCOc1ccc(-c2nc(-c3ccc(C(=O)O)o3)cs2)cc1OCC.
What is the InChIKey of 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]furan-2-carboxylic acid?
The InChIKey is SCVLZHVEWHHWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5S/c1-3-22-14-6-5-11(9-16(14)23-4-2)17-19-12(10-25-17)13-7-8-15(24-13)18(20)21/h5-10H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]furan-2-carboxylic acid?
5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]furan-2-carboxylic acid has a molecular weight of 359.40 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]furan-2-carboxylic acid is sourced from PubChem (CID 10451079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).