2-(3-pyrimidin-5-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid

C15H9N5O2S — CID 59179877

IUPAC2-(3-pyrimidin-5-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3cncnc3)c3ccccc32)n1
InChIInChI=1S/C15H9N5O2S/c21-14(22)11-7-23-15(18-11)20-12-4-2-1-3-10(12)13(19-20)9-5-16-8-17-6-9/h1-8H,(H,21,22)
InChIKeyCGMFZADGIASPNG-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.64
Rot. Bonds3

About 2-(3-pyrimidin-5-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid

2-(3-pyrimidin-5-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 59179877) has the molecular formula C15H9N5O2S and a molecular weight of 323.34 g/mol. Its IUPAC name is 2-(3-pyrimidin-5-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-pyrimidin-5-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID59179877
Molecular FormulaC15H9N5O2S
Molecular Weight323.34 g/mol
Exact Mass323.05
IUPAC Name2-(3-pyrimidin-5-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3cncnc3)c3ccccc32)n1
InChIInChI=1S/C15H9N5O2S/c21-14(22)11-7-23-15(18-11)20-12-4-2-1-3-10(12)13(19-20)9-5-16-8-17-6-9/h1-8H,(H,21,22)
InChIKeyCGMFZADGIASPNG-UHFFFAOYSA-N
XLogP2.64
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrimidin-5-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(3-pyrimidin-5-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid (CID 59179877) is 2-(3-pyrimidin-5-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-pyrimidin-5-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(3-pyrimidin-5-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-n2nc(-c3cncnc3)c3ccccc32)n1.
What is the InChIKey of 2-(3-pyrimidin-5-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is CGMFZADGIASPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N5O2S/c21-14(22)11-7-23-15(18-11)20-12-4-2-1-3-10(12)13(19-20)9-5-16-8-17-6-9/h1-8H,(H,21,22).
What are the key properties of 2-(3-pyrimidin-5-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
2-(3-pyrimidin-5-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 323.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrimidin-5-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59179877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).