4-amino-3-(3-fluorophenyl)-1,2-thiazole-5-carboxylic acid

C10H7FN2O2S — CID 13073207

IUPAC4-amino-3-(3-fluorophenyl)-1,2-thiazole-5-carboxylic acid
SMILESNc1c(-c2cccc(F)c2)nsc1C(=O)O
InChIInChI=1S/C10H7FN2O2S/c11-6-3-1-2-5(4-6)8-7(12)9(10(14)15)16-13-8/h1-4H,12H2,(H,14,15)
InChIKeySLDAXHADRCWHAK-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.23
Rot. Bonds2

About 4-amino-3-(3-fluorophenyl)-1,2-thiazole-5-carboxylic acid

4-amino-3-(3-fluorophenyl)-1,2-thiazole-5-carboxylic acid (PubChem CID 13073207) has the molecular formula C10H7FN2O2S and a molecular weight of 238.24 g/mol. Its IUPAC name is 4-amino-3-(3-fluorophenyl)-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-(3-fluorophenyl)-1,2-thiazole-5-carboxylic acid
PubChem CID13073207
Molecular FormulaC10H7FN2O2S
Molecular Weight238.24 g/mol
Exact Mass238.02
IUPAC Name4-amino-3-(3-fluorophenyl)-1,2-thiazole-5-carboxylic acid
SMILESNc1c(-c2cccc(F)c2)nsc1C(=O)O
InChIInChI=1S/C10H7FN2O2S/c11-6-3-1-2-5(4-6)8-7(12)9(10(14)15)16-13-8/h1-4H,12H2,(H,14,15)
InChIKeySLDAXHADRCWHAK-UHFFFAOYSA-N
XLogP2.23
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Amflutizole
CID 54833
Ethyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate
CID 647033
Methyl 4-amino-3-phenyl-1,2-thiazole-5-carboxylate
CID 13073192
3-Phenyl-1,2-thiazole-5-carboxylic acid
CID 20265390
Methyl 4-amino-3-(3-fluorophenyl)-1,2-thiazole-5-carboxylate
CID 13073190
Methyl 4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylate
CID 13073199
Ethyl 4-amino-3-phenyl-1,2-thiazole-5-carboxylate
CID 12553630
Methyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate
CID 13073191
Methyl 4-amino-3-(2-methylphenyl)-1,2-thiazole-5-carboxylate
CID 65639860
4-Amino-3-phenyl-5-isothiazolecarboxylic acid
CID 13073209
3-(alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-3,5-Xylyl)-4,5-Isothiazoledicarboxylic Acid
CID 12437440
3-(2-Fluorophenyl)-1,2-thiazole-4-carboxylic acid
CID 12437445

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-fluorophenyl)-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 4-amino-3-(3-fluorophenyl)-1,2-thiazole-5-carboxylic acid (CID 13073207) is 4-amino-3-(3-fluorophenyl)-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-amino-3-(3-fluorophenyl)-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 4-amino-3-(3-fluorophenyl)-1,2-thiazole-5-carboxylic acid is Nc1c(-c2cccc(F)c2)nsc1C(=O)O.
What is the InChIKey of 4-amino-3-(3-fluorophenyl)-1,2-thiazole-5-carboxylic acid?
The InChIKey is SLDAXHADRCWHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2S/c11-6-3-1-2-5(4-6)8-7(12)9(10(14)15)16-13-8/h1-4H,12H2,(H,14,15).
What are the key properties of 4-amino-3-(3-fluorophenyl)-1,2-thiazole-5-carboxylic acid?
4-amino-3-(3-fluorophenyl)-1,2-thiazole-5-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-fluorophenyl)-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 13073207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).