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

C19H24N2O2S — CID 119906964

IUPAC1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylic acid
SMILESCC(C)c1ccc(-c2ncc(CN3CCC(C(=O)O)CC3)s2)cc1
InChIInChI=1S/C19H24N2O2S/c1-13(2)14-3-5-15(6-4-14)18-20-11-17(24-18)12-21-9-7-16(8-10-21)19(22)23/h3-6,11,13,16H,7-10,12H2,1-2H3,(H,22,23)
InChIKeyUJZDIGPDOYZBCT-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.23
Rot. Bonds5

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

1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 119906964) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylic acid
PubChem CID119906964
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylic acid
SMILESCC(C)c1ccc(-c2ncc(CN3CCC(C(=O)O)CC3)s2)cc1
InChIInChI=1S/C19H24N2O2S/c1-13(2)14-3-5-15(6-4-14)18-20-11-17(24-18)12-21-9-7-16(8-10-21)19(22)23/h3-6,11,13,16H,7-10,12H2,1-2H3,(H,22,23)
InChIKeyUJZDIGPDOYZBCT-UHFFFAOYSA-N
XLogP4.23
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylic acid (CID 119906964) is 1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylic acid is CC(C)c1ccc(-c2ncc(CN3CCC(C(=O)O)CC3)s2)cc1.
What is the InChIKey of 1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is UJZDIGPDOYZBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-13(2)14-3-5-15(6-4-14)18-20-11-17(24-18)12-21-9-7-16(8-10-21)19(22)23/h3-6,11,13,16H,7-10,12H2,1-2H3,(H,22,23).
What are the key properties of 1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylic acid?
1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 344.48 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119906964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).