6-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid

C18H22N2O2S — CID 122084145

IUPAC6-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid
SMILESCc1ccc(-c2nc(CN3CC(C(=O)O)CCC3C)cs2)cc1
InChIInChI=1S/C18H22N2O2S/c1-12-3-6-14(7-4-12)17-19-16(11-23-17)10-20-9-15(18(21)22)8-5-13(20)2/h3-4,6-7,11,13,15H,5,8-10H2,1-2H3,(H,21,22)
InChIKeyRIMQPPSANQHSJR-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.80
Rot. Bonds4

About 6-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid

6-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid (PubChem CID 122084145) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 6-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid
PubChem CID122084145
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name6-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid
SMILESCc1ccc(-c2nc(CN3CC(C(=O)O)CCC3C)cs2)cc1
InChIInChI=1S/C18H22N2O2S/c1-12-3-6-14(7-4-12)17-19-16(11-23-17)10-20-9-15(18(21)22)8-5-13(20)2/h3-4,6-7,11,13,15H,5,8-10H2,1-2H3,(H,21,22)
InChIKeyRIMQPPSANQHSJR-UHFFFAOYSA-N
XLogP3.80
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[[(2S,5R)-5-(hydroxymethyl)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 97325866
1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119906545
(2R)-1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119371423
(3S,6R)-1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide
CID 95343641
1-[(4-tert-butylphenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122084060
2-[(2R)-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]propan-2-ol
CID 99576883
(3S)-5-oxo-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 95123541
6-methyl-1-[(8-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid
CID 122124527
1-[(3,4-difluorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122084101
1-[2-[methyl-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetyl]piperidine-4-carboxylic acid
CID 75429408
(3R)-1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 124683151
6-methyl-1-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 122083559

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid (CID 122084145) is 6-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid is Cc1ccc(-c2nc(CN3CC(C(=O)O)CCC3C)cs2)cc1.
What is the InChIKey of 6-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid?
The InChIKey is RIMQPPSANQHSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-12-3-6-14(7-4-12)17-19-16(11-23-17)10-20-9-15(18(21)22)8-5-13(20)2/h3-4,6-7,11,13,15H,5,8-10H2,1-2H3,(H,21,22).
What are the key properties of 6-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid?
6-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid has a molecular weight of 330.45 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122084145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).