(2R,3R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-2-methylpiperidine-3-carboxylic acid

C13H18N2O3S — CID 122116715

IUPAC(2R,3R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-2-methylpiperidine-3-carboxylic acid
SMILESCc1nc(C(=O)N2CCC[C@@H](C(=O)O)[C@H]2C)c(C)s1
InChIInChI=1S/C13H18N2O3S/c1-7-10(13(17)18)5-4-6-15(7)12(16)11-8(2)19-9(3)14-11/h7,10H,4-6H2,1-3H3,(H,17,18)/t7-,10-/m1/s1
InChIKeyBOYHDVPDLDHRDM-GMSGAONNSA-N
MW282.37 g/mol
LogP2.09
Rot. Bonds2

About (2R,3R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-2-methylpiperidine-3-carboxylic acid

(2R,3R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-2-methylpiperidine-3-carboxylic acid (PubChem CID 122116715) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is (2R,3R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-2-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-2-methylpiperidine-3-carboxylic acid
PubChem CID122116715
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name(2R,3R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-2-methylpiperidine-3-carboxylic acid
SMILESCc1nc(C(=O)N2CCC[C@@H](C(=O)O)[C@H]2C)c(C)s1
InChIInChI=1S/C13H18N2O3S/c1-7-10(13(17)18)5-4-6-15(7)12(16)11-8(2)19-9(3)14-11/h7,10H,4-6H2,1-3H3,(H,17,18)/t7-,10-/m1/s1
InChIKeyBOYHDVPDLDHRDM-GMSGAONNSA-N
XLogP2.09
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-2-methylpiperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 120537406
(2,5-dimethyl-1,3-thiazol-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 110465501
(2R,3R)-2-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122116738
(2R,3R)-1-(3-hydroxypyridine-2-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116626
(2R,3R)-2-methyl-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122114886
(2R,3R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122114768
(2R,3R)-1-(3-bromothiophene-2-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122115284
(2S,3S)-2-methyl-1-(2-propan-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122116782
1-carbamoyl-2-methylpiperidine-3-carboxylic acid
CID 130961604
(2R,3R)-1-[2-(3,4-dichlorophenyl)-5-methyl-1,3-oxazole-4-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122116834
(2R,3S)-2-methyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylic acid
CID 175654063
(2R,3R)-2-methyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122116190

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-2-methylpiperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-2-methylpiperidine-3-carboxylic acid (CID 122116715) is (2R,3R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-2-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-2-methylpiperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-2-methylpiperidine-3-carboxylic acid is Cc1nc(C(=O)N2CCC[C@@H](C(=O)O)[C@H]2C)c(C)s1.
What is the InChIKey of (2R,3R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-2-methylpiperidine-3-carboxylic acid?
The InChIKey is BOYHDVPDLDHRDM-GMSGAONNSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-7-10(13(17)18)5-4-6-15(7)12(16)11-8(2)19-9(3)14-11/h7,10H,4-6H2,1-3H3,(H,17,18)/t7-,10-/m1/s1.
What are the key properties of (2R,3R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-2-methylpiperidine-3-carboxylic acid?
(2R,3R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-2-methylpiperidine-3-carboxylic acid has a molecular weight of 282.37 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-2-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122116715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).