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

C9H12N2O2S — CID 30072707

IUPAC(3R)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(c2nccs2)C1
InChIInChI=1S/C9H12N2O2S/c12-8(13)7-2-1-4-11(6-7)9-10-3-5-14-9/h3,5,7H,1-2,4,6H2,(H,12,13)/t7-/m1/s1
InChIKeyHBUSXPMRNOKFBL-SSDOTTSWSA-N
MW212.27 g/mol
LogP1.44
Rot. Bonds2

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

(3R)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid (PubChem CID 30072707) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is (3R)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid
PubChem CID30072707
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name(3R)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(c2nccs2)C1
InChIInChI=1S/C9H12N2O2S/c12-8(13)7-2-1-4-11(6-7)9-10-3-5-14-9/h3,5,7H,1-2,4,6H2,(H,12,13)/t7-/m1/s1
InChIKeyHBUSXPMRNOKFBL-SSDOTTSWSA-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

(3R)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95739298
(3S)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95739299
(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanone
CID 95291073
(3R)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 30078408
1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
(3S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid
CID 96925793
(3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95739307
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 54962570
(4-methylpiperazin-1-yl)-[1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56863070
(3S)-N,N-dimethyl-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 94162861

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid (CID 30072707) is (3R)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(c2nccs2)C1.
What is the InChIKey of (3R)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid?
The InChIKey is HBUSXPMRNOKFBL-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12N2O2S/c12-8(13)7-2-1-4-11(6-7)9-10-3-5-14-9/h3,5,7H,1-2,4,6H2,(H,12,13)/t7-/m1/s1.
What are the key properties of (3R)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid?
(3R)-1-(1,3-thiazol-2-yl)piperidine-3-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 (3R)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 30072707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).