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

C10H14N2O2S — CID 30078408

IUPAC(3R)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
SMILESCc1csc(N2CCC[C@@H](C(=O)O)C2)n1
InChIInChI=1S/C10H14N2O2S/c1-7-6-15-10(11-7)12-4-2-3-8(5-12)9(13)14/h6,8H,2-5H2,1H3,(H,13,14)/t8-/m1/s1
InChIKeyPPQOXDSSWJFEEK-MRVPVSSYSA-N
MW226.30 g/mol
LogP1.75
Rot. Bonds2

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

(3R)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid (PubChem CID 30078408) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is (3R)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
PubChem CID30078408
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name(3R)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
SMILESCc1csc(N2CCC[C@@H](C(=O)O)C2)n1
InChIInChI=1S/C10H14N2O2S/c1-7-6-15-10(11-7)12-4-2-3-8(5-12)9(13)14/h6,8H,2-5H2,1H3,(H,13,14)/t8-/m1/s1
InChIKeyPPQOXDSSWJFEEK-MRVPVSSYSA-N
XLogP1.75
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-3-yl]acetamide
CID 171335280
cyclohexyl-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 110710911
(3R)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 30072707
(3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120311
1-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859714
N-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 115300939
(3S)-1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81125511
1-(4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 4208594
[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 25268514
(3S)-1-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 119174349
4-methyl-2-(3-methylpiperazin-1-yl)-1,3-thiazole
CID 62480503
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 102685906

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid (CID 30078408) is (3R)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid is Cc1csc(N2CCC[C@@H](C(=O)O)C2)n1.
What is the InChIKey of (3R)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid?
The InChIKey is PPQOXDSSWJFEEK-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7-6-15-10(11-7)12-4-2-3-8(5-12)9(13)14/h6,8H,2-5H2,1H3,(H,13,14)/t8-/m1/s1.
What are the key properties of (3R)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid?
(3R)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid has a molecular weight of 226.30 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 30078408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).