formic acid;6-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxylic acid

C13H11N3O4S — CID 161260519

IUPACformic acid;6-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxylic acid
SMILESCc1csc(-c2ccc3c(C(=O)O)n[nH]c3c2)n1.O=CO
InChIInChI=1S/C12H9N3O2S.CH2O2/c1-6-5-18-11(13-6)7-2-3-8-9(4-7)14-15-10(8)12(16)17;2-1-3/h2-5H,1H3,(H,14,15)(H,16,17);1H,(H,2,3)
InChIKeyVCMIGXKCECXZDR-UHFFFAOYSA-N
MW305.32 g/mol
LogP2.39
Rot. Bonds2

About formic acid;6-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxylic acid

formic acid;6-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxylic acid (PubChem CID 161260519) has the molecular formula C13H11N3O4S and a molecular weight of 305.32 g/mol. Its IUPAC name is formic acid;6-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Nameformic acid;6-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxylic acid
PubChem CID161260519
Molecular FormulaC13H11N3O4S
Molecular Weight305.32 g/mol
Exact Mass305.05
IUPAC Nameformic acid;6-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxylic acid
SMILESCc1csc(-c2ccc3c(C(=O)O)n[nH]c3c2)n1.O=CO
InChIInChI=1S/C12H9N3O2S.CH2O2/c1-6-5-18-11(13-6)7-2-3-8-9(4-7)14-15-10(8)12(16)17;2-1-3/h2-5H,1H3,(H,14,15)(H,16,17);1H,(H,2,3)
InChIKeyVCMIGXKCECXZDR-UHFFFAOYSA-N
XLogP2.39
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;6-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxylic acid?
The IUPAC name of formic acid;6-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxylic acid (CID 161260519) is formic acid;6-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxylic acid.
What is the SMILES notation for formic acid;6-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxylic acid?
The canonical SMILES for formic acid;6-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxylic acid is Cc1csc(-c2ccc3c(C(=O)O)n[nH]c3c2)n1.O=CO.
What is the InChIKey of formic acid;6-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxylic acid?
The InChIKey is VCMIGXKCECXZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S.CH2O2/c1-6-5-18-11(13-6)7-2-3-8-9(4-7)14-15-10(8)12(16)17;2-1-3/h2-5H,1H3,(H,14,15)(H,16,17);1H,(H,2,3).
What are the key properties of formic acid;6-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxylic acid?
formic acid;6-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxylic acid has a molecular weight of 305.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;6-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 161260519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).