2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid

C13H19N3O2S — CID 63168560

IUPAC2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(N3CCCCC3)C2)s1
InChIInChI=1S/C13H19N3O2S/c17-12(18)11-8-14-13(19-11)16-7-4-10(9-16)15-5-2-1-3-6-15/h8,10H,1-7,9H2,(H,17,18)
InChIKeyHNKNREUPVDYULO-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.91
Rot. Bonds3

About 2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid

2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 63168560) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID63168560
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(N3CCCCC3)C2)s1
InChIInChI=1S/C13H19N3O2S/c17-12(18)11-8-14-13(19-11)16-7-4-10(9-16)15-5-2-1-3-6-15/h8,10H,1-7,9H2,(H,17,18)
InChIKeyHNKNREUPVDYULO-UHFFFAOYSA-N
XLogP1.91
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazole-5-carboxylate
CID 80572590
2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 55160118
methyl 2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1,3-thiazole-5-carboxylate
CID 80571298
2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 71208672
2-(3-ethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62752952
2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 71208660
2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 62752950
N-methyl-1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63168681
[2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62753857
3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 55158995
2-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80576869
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
CID 146570881

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid (CID 63168560) is 2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(N2CCC(N3CCCCC3)C2)s1.
What is the InChIKey of 2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is HNKNREUPVDYULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c17-12(18)11-8-14-13(19-11)16-7-4-10(9-16)15-5-2-1-3-6-15/h8,10H,1-7,9H2,(H,17,18).
What are the key properties of 2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid?
2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63168560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).