1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid

C15H24N2O2S — CID 104598708

IUPAC1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid
SMILESCC(C)(C)c1csc(CN2CCCCC2(C)C(=O)O)n1
InChIInChI=1S/C15H24N2O2S/c1-14(2,3)11-10-20-12(16-11)9-17-8-6-5-7-15(17,4)13(18)19/h10H,5-9H2,1-4H3,(H,18,19)
InChIKeyQBQYFMKVTRGYQC-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.27
Rot. Bonds3

About 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid

1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 104598708) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID104598708
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid
SMILESCC(C)(C)c1csc(CN2CCCCC2(C)C(=O)O)n1
InChIInChI=1S/C15H24N2O2S/c1-14(2,3)11-10-20-12(16-11)9-17-8-6-5-7-15(17,4)13(18)19/h10H,5-9H2,1-4H3,(H,18,19)
InChIKeyQBQYFMKVTRGYQC-UHFFFAOYSA-N
XLogP3.27
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(1,3-thiazol-4-ylmethyl)piperidine-2-carboxylic acid
CID 104598838
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol
CID 113343942
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpyrrolidin-3-ol
CID 103748001
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102895474
1-[(4-tert-butyl-1,3-thiazol-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122001026
2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid
CID 104598887
2-methyl-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid
CID 104598750
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122121109
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111104396
2-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid
CID 104598717
1-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 119878948
2-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 113431135

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid (CID 104598708) is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid is CC(C)(C)c1csc(CN2CCCCC2(C)C(=O)O)n1.
What is the InChIKey of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is QBQYFMKVTRGYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-14(2,3)11-10-20-12(16-11)9-17-8-6-5-7-15(17,4)13(18)19/h10H,5-9H2,1-4H3,(H,18,19).
What are the key properties of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid?
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 296.44 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104598708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).