2-(4-amino-5,6-difluoronaphthalen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

C15H10F2N2O2S — CID 89076614

IUPAC2-(4-amino-5,6-difluoronaphthalen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2cc(N)c3c(F)c(F)ccc3c2)sc1C(=O)O
InChIInChI=1S/C15H10F2N2O2S/c1-6-13(15(20)21)22-14(19-6)8-4-7-2-3-9(16)12(17)11(7)10(18)5-8/h2-5H,18H2,1H3,(H,20,21)
InChIKeyGPQYTKBXGSPPSK-UHFFFAOYSA-N
MW320.32 g/mol
LogP3.83
Rot. Bonds2

About 2-(4-amino-5,6-difluoronaphthalen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(4-amino-5,6-difluoronaphthalen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 89076614) has the molecular formula C15H10F2N2O2S and a molecular weight of 320.32 g/mol. Its IUPAC name is 2-(4-amino-5,6-difluoronaphthalen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-amino-5,6-difluoronaphthalen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID89076614
Molecular FormulaC15H10F2N2O2S
Molecular Weight320.32 g/mol
Exact Mass320.04
IUPAC Name2-(4-amino-5,6-difluoronaphthalen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2cc(N)c3c(F)c(F)ccc3c2)sc1C(=O)O
InChIInChI=1S/C15H10F2N2O2S/c1-6-13(15(20)21)22-14(19-6)8-4-7-2-3-9(16)12(17)11(7)10(18)5-8/h2-5H,18H2,1H3,(H,20,21)
InChIKeyGPQYTKBXGSPPSK-UHFFFAOYSA-N
XLogP3.83
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-amino-4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 82545832
2-(3-aminophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 58326660
2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19965147
2-(3-amino-4-phenoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 151518393
2-(4-cyano-6,8-difluoronaphthalen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 58409525
2-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 106817940
2-(4-cyano-8-fluoro-7-hydroxynaphthalen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 45381924
2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62308714
2-[3-amino-1-(2-aminopropan-2-yl)indol-5-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 70217023
2-[3-amino-4-(2-ethoxy-2-oxoethyl)sulfanylphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 110823572
4-methyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 79018828
2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 81303466

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5,6-difluoronaphthalen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4-amino-5,6-difluoronaphthalen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 89076614) is 2-(4-amino-5,6-difluoronaphthalen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-amino-5,6-difluoronaphthalen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4-amino-5,6-difluoronaphthalen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2cc(N)c3c(F)c(F)ccc3c2)sc1C(=O)O.
What is the InChIKey of 2-(4-amino-5,6-difluoronaphthalen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is GPQYTKBXGSPPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2S/c1-6-13(15(20)21)22-14(19-6)8-4-7-2-3-9(16)12(17)11(7)10(18)5-8/h2-5H,18H2,1H3,(H,20,21).
What are the key properties of 2-(4-amino-5,6-difluoronaphthalen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(4-amino-5,6-difluoronaphthalen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 320.32 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5,6-difluoronaphthalen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 89076614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).