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

C16H18N2O2S — CID 119907682

IUPAC1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cnc(-c3ccccc3)s2)CC1
InChIInChI=1S/C16H18N2O2S/c19-16(20)13-6-8-18(9-7-13)11-14-10-17-15(21-14)12-4-2-1-3-5-12/h1-5,10,13H,6-9,11H2,(H,19,20)
InChIKeyQTAWUMVOBVKSJT-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.11
Rot. Bonds4

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

1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 119907682) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid
PubChem CID119907682
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cnc(-c3ccccc3)s2)CC1
InChIInChI=1S/C16H18N2O2S/c19-16(20)13-6-8-18(9-7-13)11-14-10-17-15(21-14)12-4-2-1-3-5-12/h1-5,10,13H,6-9,11H2,(H,19,20)
InChIKeyQTAWUMVOBVKSJT-UHFFFAOYSA-N
XLogP3.11
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-Pyridin-3-yl-7-thiazol-2-yl-hept-6-enoic acid
CID 13417289
2-{1-Cyclopentyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 16188713
2-{1-(3-Methylbutyl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 16189781
2-{1-Cyclohexyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 16190142
2-{1-Benzyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 16190621
2-{1-Isopropyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 16190452
2-{1-(3-Methyl-2-buten-1-yl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 16188966
2-{1-(2-Phenylethyl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 16191522
3-(5-Methyl-1,3-thiazol-2-yl)-3-(3-pyridin-3-ylphenyl)propanoic acid
CID 118533592
2-{1-(1-Isopropyl-4-piperidinyl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 16190355
3-(5-Methyl-1,3-thiazol-2-yl)-3-(3-pyridin-4-ylphenyl)propanoic acid
CID 118533524
3-(3-Pyridin-3-ylphenyl)-3-(1,3-thiazol-2-yl)propanoic acid
CID 118533606

Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid (CID 119907682) is 1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2cnc(-c3ccccc3)s2)CC1.
What is the InChIKey of 1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is QTAWUMVOBVKSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-16(20)13-6-8-18(9-7-13)11-14-10-17-15(21-14)12-4-2-1-3-5-12/h1-5,10,13H,6-9,11H2,(H,19,20).
What are the key properties of 1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid?
1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 302.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119907682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).