2-[3-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid

C18H12FN3O2S — CID 59180012

IUPAC2-[3-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESCc1cc(F)ccc1-c1nn(-c2nc(C(=O)O)cs2)c2ccccc12
InChIInChI=1S/C18H12FN3O2S/c1-10-8-11(19)6-7-12(10)16-13-4-2-3-5-15(13)22(21-16)18-20-14(9-25-18)17(23)24/h2-9H,1H3,(H,23,24)
InChIKeySDZBXYNJOTUKGF-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.29
Rot. Bonds3

About 2-[3-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid

2-[3-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 59180012) has the molecular formula C18H12FN3O2S and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[3-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID59180012
Molecular FormulaC18H12FN3O2S
Molecular Weight353.38 g/mol
Exact Mass353.06
IUPAC Name2-[3-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESCc1cc(F)ccc1-c1nn(-c2nc(C(=O)O)cs2)c2ccccc12
InChIInChI=1S/C18H12FN3O2S/c1-10-8-11(19)6-7-12(10)16-13-4-2-3-5-15(13)22(21-16)18-20-14(9-25-18)17(23)24/h2-9H,1H3,(H,23,24)
InChIKeySDZBXYNJOTUKGF-UHFFFAOYSA-N
XLogP4.29
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[3-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid (CID 59180012) is 2-[3-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[3-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid is Cc1cc(F)ccc1-c1nn(-c2nc(C(=O)O)cs2)c2ccccc12.
What is the InChIKey of 2-[3-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is SDZBXYNJOTUKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2S/c1-10-8-11(19)6-7-12(10)16-13-4-2-3-5-15(13)22(21-16)18-20-14(9-25-18)17(23)24/h2-9H,1H3,(H,23,24).
What are the key properties of 2-[3-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
2-[3-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 353.38 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59180012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).