2-(7-methyl-2H-indazol-3-yl)-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid

C18H11F3N4O2S — CID 22259210

IUPAC2-(7-methyl-2H-indazol-3-yl)-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1cccc2c(-c3nc(C(=O)O)c(-c4ccc(C(F)(F)F)nc4)s3)[nH]nc12
InChIInChI=1S/C18H11F3N4O2S/c1-8-3-2-4-10-12(8)24-25-13(10)16-23-14(17(26)27)15(28-16)9-5-6-11(22-7-9)18(19,20)21/h2-7H,1H3,(H,24,25)(H,26,27)
InChIKeyRPVLTDZDPSQVBC-UHFFFAOYSA-N
MW404.37 g/mol
LogP4.77
Rot. Bonds3

About 2-(7-methyl-2H-indazol-3-yl)-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid

2-(7-methyl-2H-indazol-3-yl)-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 22259210) has the molecular formula C18H11F3N4O2S and a molecular weight of 404.37 g/mol. Its IUPAC name is 2-(7-methyl-2H-indazol-3-yl)-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(7-methyl-2H-indazol-3-yl)-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid
PubChem CID22259210
Molecular FormulaC18H11F3N4O2S
Molecular Weight404.37 g/mol
Exact Mass404.06
IUPAC Name2-(7-methyl-2H-indazol-3-yl)-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1cccc2c(-c3nc(C(=O)O)c(-c4ccc(C(F)(F)F)nc4)s3)[nH]nc12
InChIInChI=1S/C18H11F3N4O2S/c1-8-3-2-4-10-12(8)24-25-13(10)16-23-14(17(26)27)15(28-16)9-5-6-11(22-7-9)18(19,20)21/h2-7H,1H3,(H,24,25)(H,26,27)
InChIKeyRPVLTDZDPSQVBC-UHFFFAOYSA-N
XLogP4.77
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-2H-indazol-3-yl)-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(7-methyl-2H-indazol-3-yl)-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid (CID 22259210) is 2-(7-methyl-2H-indazol-3-yl)-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(7-methyl-2H-indazol-3-yl)-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(7-methyl-2H-indazol-3-yl)-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid is Cc1cccc2c(-c3nc(C(=O)O)c(-c4ccc(C(F)(F)F)nc4)s3)[nH]nc12.
What is the InChIKey of 2-(7-methyl-2H-indazol-3-yl)-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is RPVLTDZDPSQVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O2S/c1-8-3-2-4-10-12(8)24-25-13(10)16-23-14(17(26)27)15(28-16)9-5-6-11(22-7-9)18(19,20)21/h2-7H,1H3,(H,24,25)(H,26,27).
What are the key properties of 2-(7-methyl-2H-indazol-3-yl)-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid?
2-(7-methyl-2H-indazol-3-yl)-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 404.37 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-2H-indazol-3-yl)-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 22259210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).