3-(piperidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid

C10H12N2O3S — CID 117215215

IUPAC3-(piperidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCCCC2)ns1
InChIInChI=1S/C10H12N2O3S/c13-9(12-4-2-1-3-5-12)7-6-8(10(14)15)16-11-7/h6H,1-5H2,(H,14,15)
InChIKeyXFDZDUMEHUBBSQ-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.47
Rot. Bonds2

About 3-(piperidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid

3-(piperidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid (PubChem CID 117215215) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-(piperidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(piperidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
PubChem CID117215215
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name3-(piperidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCCCC2)ns1
InChIInChI=1S/C10H12N2O3S/c13-9(12-4-2-1-3-5-12)7-6-8(10(14)15)16-11-7/h6H,1-5H2,(H,14,15)
InChIKeyXFDZDUMEHUBBSQ-UHFFFAOYSA-N
XLogP1.47
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Carbamoyl-1,2-thiazole-5-carboxylic acid
CID 117215211
3-(Cyclohexylmethylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 174867642
3-(Cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215208
3-(Cyclobutylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215209
3-(Cyclopentylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215210
3-(Methylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215212
3-(Dimethylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215213
3-(Pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
CID 117215214
3-(Azepane-1-carbonyl)-1,2-thiazole-5-carboxylic acid
CID 117215216
3-(Piperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
CID 117215217
3-(Morpholine-4-carbonyl)-1,2-thiazole-5-carboxylic acid
CID 117215218
3-(4-Methylpiperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
CID 117215219

Frequently Asked Questions

What is the IUPAC name of 3-(piperidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 3-(piperidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid (CID 117215215) is 3-(piperidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(piperidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 3-(piperidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid is O=C(O)c1cc(C(=O)N2CCCCC2)ns1.
What is the InChIKey of 3-(piperidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid?
The InChIKey is XFDZDUMEHUBBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c13-9(12-4-2-1-3-5-12)7-6-8(10(14)15)16-11-7/h6H,1-5H2,(H,14,15).
What are the key properties of 3-(piperidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid?
3-(piperidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid has a molecular weight of 240.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 117215215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).