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

C10H6ClFN2O2S — CID 106510037

IUPAC2-amino-5-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
SMILESNc1nc(C(=O)O)c(-c2cccc(Cl)c2F)s1
InChIInChI=1S/C10H6ClFN2O2S/c11-5-3-1-2-4(6(5)12)8-7(9(15)16)14-10(13)17-8/h1-3H,(H2,13,14)(H,15,16)
InChIKeyQKRRHZDQOSURCY-UHFFFAOYSA-N
MW272.69 g/mol
LogP2.88
Rot. Bonds2

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

2-amino-5-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 106510037) has the molecular formula C10H6ClFN2O2S and a molecular weight of 272.69 g/mol. Its IUPAC name is 2-amino-5-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID106510037
Molecular FormulaC10H6ClFN2O2S
Molecular Weight272.69 g/mol
Exact Mass271.98
IUPAC Name2-amino-5-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
SMILESNc1nc(C(=O)O)c(-c2cccc(Cl)c2F)s1
InChIInChI=1S/C10H6ClFN2O2S/c11-5-3-1-2-4(6(5)12)8-7(9(15)16)14-10(13)17-8/h1-3H,(H2,13,14)(H,15,16)
InChIKeyQKRRHZDQOSURCY-UHFFFAOYSA-N
XLogP2.88
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetyl-2-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 106696128
2-amino-5-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106510015
2-amino-5-(4-bromo-3-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 106510033
2-amino-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271730
ethyl 2-amino-5-(2-chloro-6-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 53271473
2-amino-5-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271783
5-(2,3-dichlorophenyl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 106510825
2,5-bis(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 46313729
2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 64715180
2-amino-5-(4-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylic acid
CID 106510061
4-(3-chloro-2-fluorophenyl)-2,6-dimethylbenzoic acid
CID 172876910
methyl 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306543

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-amino-5-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid (CID 106510037) is 2-amino-5-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-amino-5-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid is Nc1nc(C(=O)O)c(-c2cccc(Cl)c2F)s1.
What is the InChIKey of 2-amino-5-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is QKRRHZDQOSURCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O2S/c11-5-3-1-2-4(6(5)12)8-7(9(15)16)14-10(13)17-8/h1-3H,(H2,13,14)(H,15,16).
What are the key properties of 2-amino-5-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
2-amino-5-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 272.69 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106510037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).