2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid

C11H16N2O2S — CID 18969292

IUPAC2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(CCC2CCNCC2)s1
InChIInChI=1S/C11H16N2O2S/c14-11(15)9-7-13-10(16-9)2-1-8-3-5-12-6-4-8/h7-8,12H,1-6H2,(H,14,15)
InChIKeyHAPRGHPEVBJCQO-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.77
Rot. Bonds4

About 2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid

2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 18969292) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID18969292
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(CCC2CCNCC2)s1
InChIInChI=1S/C11H16N2O2S/c14-11(15)9-7-13-10(16-9)2-1-8-3-5-12-6-4-8/h7-8,12H,1-6H2,(H,14,15)
InChIKeyHAPRGHPEVBJCQO-UHFFFAOYSA-N
XLogP1.77
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Oxan-4-yl)-1,3-thiazole-5-carboxylic acid
CID 62384828
2-Cyclobutyl-1,3-thiazole-5-carboxylic acid
CID 64982499
2-(Cyclopropylmethyl)-1,3-thiazole-5-carboxylic acid
CID 80484484
Methyl 2-(piperidin-4-yl)-1,3-thiazole-5-carboxylate hydrochloride
CID 126820113
Methyl 2-(piperidin-4-yl)-1,3-thiazole-5-carboxylate
CID 59679270
2-Undecyl-1,3-thiazole-5-carboxylic acid
CID 21415073
2-[1-(4,4,4-Trifluorobutanoyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 154741126
2-[1-(2,2,2-Trifluoroacetyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 165920671
2-[1-(2,2,2-Trifluoroacetyl)piperidin-3-yl]-1,3-thiazole-5-carboxylic acid
CID 165934570
2-{[1-(2,2,2-Trifluoroacetyl)piperidin-4-yl]methyl}-1,3-thiazole-5-carboxylic acid
CID 165936986
2-(2-Piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 18969291
2-[2-[1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid
CID 18969491

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid (CID 18969292) is 2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(CCC2CCNCC2)s1.
What is the InChIKey of 2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is HAPRGHPEVBJCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c14-11(15)9-7-13-10(16-9)2-1-8-3-5-12-6-4-8/h7-8,12H,1-6H2,(H,14,15).
What are the key properties of 2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid?
2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 240.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 18969292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).