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

C16H16N4O2S — CID 59179928

IUPAC2-(3-piperidin-1-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(N3CCCCC3)c3ccccc32)n1
InChIInChI=1S/C16H16N4O2S/c21-15(22)12-10-23-16(17-12)20-13-7-3-2-6-11(13)14(18-20)19-8-4-1-5-9-19/h2-3,6-7,10H,1,4-5,8-9H2,(H,21,22)
InChIKeyGKIPMRQCDYDJBV-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.17
Rot. Bonds3

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

2-(3-piperidin-1-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 59179928) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-(3-piperidin-1-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-piperidin-1-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID59179928
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-(3-piperidin-1-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(N3CCCCC3)c3ccccc32)n1
InChIInChI=1S/C16H16N4O2S/c21-15(22)12-10-23-16(17-12)20-13-7-3-2-6-11(13)14(18-20)19-8-4-1-5-9-19/h2-3,6-7,10H,1,4-5,8-9H2,(H,21,22)
InChIKeyGKIPMRQCDYDJBV-UHFFFAOYSA-N
XLogP3.17
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-1-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(3-piperidin-1-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid (CID 59179928) is 2-(3-piperidin-1-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-piperidin-1-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(3-piperidin-1-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-n2nc(N3CCCCC3)c3ccccc32)n1.
What is the InChIKey of 2-(3-piperidin-1-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is GKIPMRQCDYDJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c21-15(22)12-10-23-16(17-12)20-13-7-3-2-6-11(13)14(18-20)19-8-4-1-5-9-19/h2-3,6-7,10H,1,4-5,8-9H2,(H,21,22).
What are the key properties of 2-(3-piperidin-1-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
2-(3-piperidin-1-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 328.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-1-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59179928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).