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

C15H10FNO3S — CID 107931341

IUPAC5-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
SMILESCc1ccc(F)c(-c2nc(-c3cc(C(=O)O)co3)cs2)c1
InChIInChI=1S/C15H10FNO3S/c1-8-2-3-11(16)10(4-8)14-17-12(7-21-14)13-5-9(6-20-13)15(18)19/h2-7H,1H3,(H,18,19)
InChIKeyRYXKKCZHKMKXDN-UHFFFAOYSA-N
MW303.31 g/mol
LogP4.22
Rot. Bonds3

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

5-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid (PubChem CID 107931341) has the molecular formula C15H10FNO3S and a molecular weight of 303.31 g/mol. Its IUPAC name is 5-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
PubChem CID107931341
Molecular FormulaC15H10FNO3S
Molecular Weight303.31 g/mol
Exact Mass303.04
IUPAC Name5-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
SMILESCc1ccc(F)c(-c2nc(-c3cc(C(=O)O)co3)cs2)c1
InChIInChI=1S/C15H10FNO3S/c1-8-2-3-11(16)10(4-8)14-17-12(7-21-14)13-5-9(6-20-13)15(18)19/h2-7H,1H3,(H,18,19)
InChIKeyRYXKKCZHKMKXDN-UHFFFAOYSA-N
XLogP4.22
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63356063
5-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63356026
5-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 66161251
5-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 103083503
5-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 106817927
5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63355591
5-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63355768
5-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63356153
5-[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63355680
5-(2-pyridin-3-yl-1,3-thiazol-4-yl)furan-3-carboxylic acid
CID 63355636
5-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 66119113
5-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 103442924

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The IUPAC name of 5-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid (CID 107931341) is 5-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The canonical SMILES for 5-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid is Cc1ccc(F)c(-c2nc(-c3cc(C(=O)O)co3)cs2)c1.
What is the InChIKey of 5-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The InChIKey is RYXKKCZHKMKXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3S/c1-8-2-3-11(16)10(4-8)14-17-12(7-21-14)13-5-9(6-20-13)15(18)19/h2-7H,1H3,(H,18,19).
What are the key properties of 5-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
5-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid has a molecular weight of 303.31 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid is sourced from PubChem (CID 107931341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).