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

C17H18N4O2S — CID 59179977

IUPAC2-[3-(4-methylpiperidin-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESCC1CCN(c2nn(-c3nc(C(=O)O)cs3)c3ccccc23)CC1
InChIInChI=1S/C17H18N4O2S/c1-11-6-8-20(9-7-11)15-12-4-2-3-5-14(12)21(19-15)17-18-13(10-24-17)16(22)23/h2-5,10-11H,6-9H2,1H3,(H,22,23)
InChIKeyMAQPBLCYWGZBQD-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.42
Rot. Bonds3

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

2-[3-(4-methylpiperidin-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 59179977) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[3-(4-methylpiperidin-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(4-methylpiperidin-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID59179977
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-[3-(4-methylpiperidin-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESCC1CCN(c2nn(-c3nc(C(=O)O)cs3)c3ccccc23)CC1
InChIInChI=1S/C17H18N4O2S/c1-11-6-8-20(9-7-11)15-12-4-2-3-5-14(12)21(19-15)17-18-13(10-24-17)16(22)23/h2-5,10-11H,6-9H2,1H3,(H,22,23)
InChIKeyMAQPBLCYWGZBQD-UHFFFAOYSA-N
XLogP3.42
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpiperidin-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[3-(4-methylpiperidin-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid (CID 59179977) is 2-[3-(4-methylpiperidin-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-(4-methylpiperidin-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[3-(4-methylpiperidin-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid is CC1CCN(c2nn(-c3nc(C(=O)O)cs3)c3ccccc23)CC1.
What is the InChIKey of 2-[3-(4-methylpiperidin-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is MAQPBLCYWGZBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11-6-8-20(9-7-11)15-12-4-2-3-5-14(12)21(19-15)17-18-13(10-24-17)16(22)23/h2-5,10-11H,6-9H2,1H3,(H,22,23).
What are the key properties of 2-[3-(4-methylpiperidin-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
2-[3-(4-methylpiperidin-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 342.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpiperidin-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59179977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).