4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid

C9H12N2O2S — CID 96613159

IUPAC4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(c2ccns2)CCNCC1
InChIInChI=1S/C9H12N2O2S/c12-8(13)9(2-5-10-6-3-9)7-1-4-11-14-7/h1,4,10H,2-3,5-6H2,(H,12,13)
InChIKeyWFPBWMOSIOKYGB-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.85
Rot. Bonds2

About 4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid

4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid (PubChem CID 96613159) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid
PubChem CID96613159
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(c2ccns2)CCNCC1
InChIInChI=1S/C9H12N2O2S/c12-8(13)9(2-5-10-6-3-9)7-1-4-11-14-7/h1,4,10H,2-3,5-6H2,(H,12,13)
InChIKeyWFPBWMOSIOKYGB-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid
CID 96603325
4-(3-Methyl-1,2-thiazol-5-yl)piperidine-4-carboxylic acid
CID 96603326
1-(1,2-Thiazol-5-yl)cyclobutane-1-carboxylic acid
CID 96627418

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid (CID 96613159) is 4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid is O=C(O)C1(c2ccns2)CCNCC1.
What is the InChIKey of 4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid?
The InChIKey is WFPBWMOSIOKYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c12-8(13)9(2-5-10-6-3-9)7-1-4-11-14-7/h1,4,10H,2-3,5-6H2,(H,12,13).
What are the key properties of 4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid?
4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid has a molecular weight of 212.27 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 96613159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).