2-[(2-fluorophenyl)-hydroxymethyl]-1,3-thiazole-4-carboxylic acid

C11H8FNO3S — CID 83394159

IUPAC2-[(2-fluorophenyl)-hydroxymethyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(O)c2ccccc2F)n1
InChIInChI=1S/C11H8FNO3S/c12-7-4-2-1-3-6(7)9(14)10-13-8(5-17-10)11(15)16/h1-5,9,14H,(H,15,16)
InChIKeyRKNWMRBRGNULMQ-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.06
Rot. Bonds3

About 2-[(2-fluorophenyl)-hydroxymethyl]-1,3-thiazole-4-carboxylic acid

2-[(2-fluorophenyl)-hydroxymethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 83394159) has the molecular formula C11H8FNO3S and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)-hydroxymethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)-hydroxymethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID83394159
Molecular FormulaC11H8FNO3S
Molecular Weight253.25 g/mol
Exact Mass253.02
IUPAC Name2-[(2-fluorophenyl)-hydroxymethyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(O)c2ccccc2F)n1
InChIInChI=1S/C11H8FNO3S/c12-7-4-2-1-3-6(7)9(14)10-13-8(5-17-10)11(15)16/h1-5,9,14H,(H,15,16)
InChIKeyRKNWMRBRGNULMQ-UHFFFAOYSA-N
XLogP2.06
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[dimethylamino-(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxylic acid
CID 84750221
2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 43142306
2-[(1S)-1-hydroxyethyl]-1,3-thiazole-4-carboxylic acid
CID 45103110
2-(1-aminoethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81377841
bis(2-fluorophenyl)methanol
CID 18424663
2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carboxylic acid
CID 66052850
2-[methoxy(phenyl)methyl]-1,3-thiazole-4-carboxylic acid
CID 116744399
3-(2-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid
CID 82026644
2-[1-[(2-chloro-3-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 81453332
2-(2-fluoro-N-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 80568925
2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 80568894
2-[1-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66381173

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)-hydroxymethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(2-fluorophenyl)-hydroxymethyl]-1,3-thiazole-4-carboxylic acid (CID 83394159) is 2-[(2-fluorophenyl)-hydroxymethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)-hydroxymethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(2-fluorophenyl)-hydroxymethyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(C(O)c2ccccc2F)n1.
What is the InChIKey of 2-[(2-fluorophenyl)-hydroxymethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is RKNWMRBRGNULMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO3S/c12-7-4-2-1-3-6(7)9(14)10-13-8(5-17-10)11(15)16/h1-5,9,14H,(H,15,16).
What are the key properties of 2-[(2-fluorophenyl)-hydroxymethyl]-1,3-thiazole-4-carboxylic acid?
2-[(2-fluorophenyl)-hydroxymethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 253.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)-hydroxymethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 83394159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).