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

C15H24N2O2S — CID 122124497

IUPAC6-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid
SMILESCC(C)Cc1ncc(CN2CC(C(=O)O)CCC2C)s1
InChIInChI=1S/C15H24N2O2S/c1-10(2)6-14-16-7-13(20-14)9-17-8-12(15(18)19)5-4-11(17)3/h7,10-12H,4-6,8-9H2,1-3H3,(H,18,19)
InChIKeyHZCSKPUGAAKIKM-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.03
Rot. Bonds5

About 6-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid

6-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid (PubChem CID 122124497) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 6-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid
PubChem CID122124497
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name6-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid
SMILESCC(C)Cc1ncc(CN2CC(C(=O)O)CCC2C)s1
InChIInChI=1S/C15H24N2O2S/c1-10(2)6-14-16-7-13(20-14)9-17-8-12(15(18)19)5-4-11(17)3/h7,10-12H,4-6,8-9H2,1-3H3,(H,18,19)
InChIKeyHZCSKPUGAAKIKM-UHFFFAOYSA-N
XLogP3.03
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120909092
1-[(4-bromo-5-chlorothiophen-2-yl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122084211
1-(1-benzothiophen-2-ylmethyl)-6-methylpiperidine-3-carboxylic acid
CID 122124474
5-[[(3R,8aR)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole
CID 97262100
6-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 122084145
2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 82191059
1-[(2-chlorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122084082
1-[(4-tert-butylphenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122084060
1-(2,2-dimethylpropyl)-6-methylpiperidine-3-carboxylic acid
CID 130901537
1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 106262196
2-[2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 82424977
1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122124380

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid (CID 122124497) is 6-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid is CC(C)Cc1ncc(CN2CC(C(=O)O)CCC2C)s1.
What is the InChIKey of 6-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid?
The InChIKey is HZCSKPUGAAKIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10(2)6-14-16-7-13(20-14)9-17-8-12(15(18)19)5-4-11(17)3/h7,10-12H,4-6,8-9H2,1-3H3,(H,18,19).
What are the key properties of 6-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid?
6-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid has a molecular weight of 296.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122124497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).