1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid

C9H12N2O2S — CID 7131626

IUPAC1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2nccs2)CC1
InChIInChI=1S/C9H12N2O2S/c12-8(13)7-1-4-11(5-2-7)9-10-3-6-14-9/h3,6-7H,1-2,4-5H2,(H,12,13)
InChIKeyRBLAPOMCQIFXCT-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.44
Rot. Bonds2

About 1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid

1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid (PubChem CID 7131626) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid
PubChem CID7131626
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2nccs2)CC1
InChIInChI=1S/C9H12N2O2S/c12-8(13)7-1-4-11(5-2-7)9-10-3-6-14-9/h3,6-7H,1-2,4-5H2,(H,12,13)
InChIKeyRBLAPOMCQIFXCT-UHFFFAOYSA-N
XLogP1.44
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-Thiazol-2-yl)piperidine-3-carboxylic acid
CID 16783065
(3R)-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid
CID 26967300
1-(1,3-Thiazol-2-yl)piperidine-4-carboxylic acid hydrochloride
CID 54593164
5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic Acid
CID 4777977
1-(1,3-Thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708373
3,3,3-Trifluoro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]propanoic acid
CID 80996624
1-[5-(Trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
CID 122047371
Ethyl 1-(thiazol-2-yl)piperidine-4-carboxylate
CID 60658779
Methyl 1-(thiazol-2-yl)piperidine-4-carboxylate
CID 60658785
(1-(Thiazol-2-yl)piperidin-4-yl)methanol
CID 60964790
1-(1,3-Thiazol-2-yl)piperidine-4-carbaldehyde
CID 62663441
1-(1,3-Thiazol-2-yl)pyrrolidine-3-carboxylic acid
CID 63032380

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid (CID 7131626) is 1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid is O=C(O)C1CCN(c2nccs2)CC1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid?
The InChIKey is RBLAPOMCQIFXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c12-8(13)7-1-4-11(5-2-7)9-10-3-6-14-9/h3,6-7H,1-2,4-5H2,(H,12,13).
What are the key properties of 1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid?
1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid has a molecular weight of 212.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 7131626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).