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

C9H12N2O2S — CID 105466008

IUPAC2-piperidin-3-yl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(C2CCCNC2)s1
InChIInChI=1S/C9H12N2O2S/c12-9(13)7-5-11-8(14-7)6-2-1-3-10-4-6/h5-6,10H,1-4H2,(H,12,13)
InChIKeyMWLHEJCKJHCEKC-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.31
Rot. Bonds2

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

2-piperidin-3-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 105466008) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-piperidin-3-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-piperidin-3-yl-1,3-thiazole-5-carboxylic acid
PubChem CID105466008
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name2-piperidin-3-yl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(C2CCCNC2)s1
InChIInChI=1S/C9H12N2O2S/c12-9(13)7-5-11-8(14-7)6-2-1-3-10-4-6/h5-6,10H,1-4H2,(H,12,13)
InChIKeyMWLHEJCKJHCEKC-UHFFFAOYSA-N
XLogP1.31
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclohexyl-2-pyrrolidin-3-yl-1,3-thiazole
CID 115041800
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazole-5-carboxylic acid
CID 112680544
2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 80620104
N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 82176640
2-pyrrolidin-3-yl-1,3-thiazole-5-carbaldehyde
CID 115089760
2-piperidin-3-yl-1,3-thiazol-4-ol
CID 83684160
4-[(3S)-piperidin-3-yl]benzoic acid;hydrochloride
CID 154574772
2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 79969709
2-[1-(3-methylcyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 136556526
2-[(3R)-piperidin-3-yl]pyrimidine
CID 86328129
4-[5-[(3S)-piperidin-3-yl]pyrazin-2-yl]benzoic acid
CID 95825430
2-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 167954953

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-piperidin-3-yl-1,3-thiazole-5-carboxylic acid (CID 105466008) is 2-piperidin-3-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-piperidin-3-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-piperidin-3-yl-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(C2CCCNC2)s1.
What is the InChIKey of 2-piperidin-3-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is MWLHEJCKJHCEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c12-9(13)7-5-11-8(14-7)6-2-1-3-10-4-6/h5-6,10H,1-4H2,(H,12,13).
What are the key properties of 2-piperidin-3-yl-1,3-thiazole-5-carboxylic acid?
2-piperidin-3-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 212.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 105466008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).