2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid

C16H15N3O2S2 — CID 4841150

IUPAC2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)nc2nc(N3CCCCC3)sc12
InChIInChI=1S/C16H15N3O2S2/c20-15(21)10-9-11(12-5-4-8-22-12)17-14-13(10)23-16(18-14)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7H2,(H,20,21)
InChIKeyNWEIHINIEXBTSD-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.11
Rot. Bonds3

About 2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid

2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 4841150) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid
PubChem CID4841150
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)nc2nc(N3CCCCC3)sc12
InChIInChI=1S/C16H15N3O2S2/c20-15(21)10-9-11(12-5-4-8-22-12)17-14-13(10)23-16(18-14)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7H2,(H,20,21)
InChIKeyNWEIHINIEXBTSD-UHFFFAOYSA-N
XLogP4.11
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid (CID 4841150) is 2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid is O=C(O)c1cc(-c2cccs2)nc2nc(N3CCCCC3)sc12.
What is the InChIKey of 2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is NWEIHINIEXBTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c20-15(21)10-9-11(12-5-4-8-22-12)17-14-13(10)23-16(18-14)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7H2,(H,20,21).
What are the key properties of 2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid?
2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 345.45 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 4841150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).