2-(furan-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid

C14H9NO3S — CID 64718344

IUPAC2-(furan-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccco2)sc1-c1ccccc1
InChIInChI=1S/C14H9NO3S/c16-14(17)11-12(9-5-2-1-3-6-9)19-13(15-11)10-7-4-8-18-10/h1-8H,(H,16,17)
InChIKeyPDAHFYHRAQTNLB-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.77
Rot. Bonds3

About 2-(furan-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid

2-(furan-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid (PubChem CID 64718344) has the molecular formula C14H9NO3S and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid
PubChem CID64718344
Molecular FormulaC14H9NO3S
Molecular Weight271.30 g/mol
Exact Mass271.03
IUPAC Name2-(furan-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccco2)sc1-c1ccccc1
InChIInChI=1S/C14H9NO3S/c16-14(17)11-12(9-5-2-1-3-6-9)19-13(15-11)10-7-4-8-18-10/h1-8H,(H,16,17)
InChIKeyPDAHFYHRAQTNLB-UHFFFAOYSA-N
XLogP3.77
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(furan-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid (CID 64718344) is 2-(furan-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(furan-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(furan-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid is O=C(O)c1nc(-c2ccco2)sc1-c1ccccc1.
What is the InChIKey of 2-(furan-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is PDAHFYHRAQTNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3S/c16-14(17)11-12(9-5-2-1-3-6-9)19-13(15-11)10-7-4-8-18-10/h1-8H,(H,16,17).
What are the key properties of 2-(furan-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
2-(furan-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 271.30 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64718344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).