2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid

C13H14N4O2S — CID 70831338

IUPAC2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(N2CCCCC2)nc1-c1cnccn1
InChIInChI=1S/C13H14N4O2S/c18-12(19)11-10(9-8-14-4-5-15-9)16-13(20-11)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7H2,(H,18,19)
InChIKeyYLLKUMJPBIWLOX-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.29
Rot. Bonds3

About 2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid

2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 70831338) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID70831338
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(N2CCCCC2)nc1-c1cnccn1
InChIInChI=1S/C13H14N4O2S/c18-12(19)11-10(9-8-14-4-5-15-9)16-13(20-11)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7H2,(H,18,19)
InChIKeyYLLKUMJPBIWLOX-UHFFFAOYSA-N
XLogP2.29
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.29
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-4-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid (CID 70831338) is 2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(N2CCCCC2)nc1-c1cnccn1.
What is the InChIKey of 2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is YLLKUMJPBIWLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c18-12(19)11-10(9-8-14-4-5-15-9)16-13(20-11)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7H2,(H,18,19).
What are the key properties of 2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid?
2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 290.35 g/mol, XLogP of 2.29, 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-4-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 70831338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).