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

C19H24N2O2S — CID 122120995

IUPAC5-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(Cc2csc(CCc3ccccc3)n2)C1
InChIInChI=1S/C19H24N2O2S/c1-14-9-16(19(22)23)11-21(10-14)12-17-13-24-18(20-17)8-7-15-5-3-2-4-6-15/h2-6,13-14,16H,7-12H2,1H3,(H,22,23)
InChIKeyIDZGZWKTGAIIOJ-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.47
Rot. Bonds6

About 5-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid

5-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid (PubChem CID 122120995) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 5-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid
PubChem CID122120995
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name5-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(Cc2csc(CCc3ccccc3)n2)C1
InChIInChI=1S/C19H24N2O2S/c1-14-9-16(19(22)23)11-21(10-14)12-17-13-24-18(20-17)8-7-15-5-3-2-4-6-15/h2-6,13-14,16H,7-12H2,1H3,(H,22,23)
InChIKeyIDZGZWKTGAIIOJ-UHFFFAOYSA-N
XLogP3.47
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S,6R)-2,6-dimethyl-4-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 146130495
1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122121159
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122121109
1-[(1-benzylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125500
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 43440901
N-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride
CID 119918423
5-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 79994218
(3S,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98534340
5-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 79992782
1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]pyrrolidine-3-carboxylic acid
CID 119904916
2-(2-chlorophenyl)-4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazole
CID 22198040
5-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid
CID 122125208

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid (CID 122120995) is 5-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(Cc2csc(CCc3ccccc3)n2)C1.
What is the InChIKey of 5-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid?
The InChIKey is IDZGZWKTGAIIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-14-9-16(19(22)23)11-21(10-14)12-17-13-24-18(20-17)8-7-15-5-3-2-4-6-15/h2-6,13-14,16H,7-12H2,1H3,(H,22,23).
What are the key properties of 5-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid?
5-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid has a molecular weight of 344.48 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122120995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).