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

C15H11NO3S — CID 63356063

IUPAC5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
SMILESCc1ccc(-c2nc(-c3cc(C(=O)O)co3)cs2)cc1
InChIInChI=1S/C15H11NO3S/c1-9-2-4-10(5-3-9)14-16-12(8-20-14)13-6-11(7-19-13)15(17)18/h2-8H,1H3,(H,17,18)
InChIKeyLNZIPIPGOSNRFE-UHFFFAOYSA-N
MW285.32 g/mol
LogP4.08
Rot. Bonds3

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

5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid (PubChem CID 63356063) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
PubChem CID63356063
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
SMILESCc1ccc(-c2nc(-c3cc(C(=O)O)co3)cs2)cc1
InChIInChI=1S/C15H11NO3S/c1-9-2-4-10(5-3-9)14-16-12(8-20-14)13-6-11(7-19-13)15(17)18/h2-8H,1H3,(H,17,18)
InChIKeyLNZIPIPGOSNRFE-UHFFFAOYSA-N
XLogP4.08
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The IUPAC name of 5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid (CID 63356063) is 5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The canonical SMILES for 5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid is Cc1ccc(-c2nc(-c3cc(C(=O)O)co3)cs2)cc1.
What is the InChIKey of 5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The InChIKey is LNZIPIPGOSNRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c1-9-2-4-10(5-3-9)14-16-12(8-20-14)13-6-11(7-19-13)15(17)18/h2-8H,1H3,(H,17,18).
What are the key properties of 5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid has a molecular weight of 285.32 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid is sourced from PubChem (CID 63356063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).