1-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carbaldehyde

C16H18N2O2S — CID 130215044

IUPAC1-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carbaldehyde
SMILESCC1CC(C=O)CCN1c1nc(-c2ccccc2O)cs1
InChIInChI=1S/C16H18N2O2S/c1-11-8-12(9-19)6-7-18(11)16-17-14(10-21-16)13-4-2-3-5-15(13)20/h2-5,9-12,20H,6-8H2,1H3
InChIKeyHBQYCDVNDPYEDQ-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.32
Rot. Bonds3

About 1-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carbaldehyde

1-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carbaldehyde (PubChem CID 130215044) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carbaldehyde
PubChem CID130215044
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name1-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carbaldehyde
SMILESCC1CC(C=O)CCN1c1nc(-c2ccccc2O)cs1
InChIInChI=1S/C16H18N2O2S/c1-11-8-12(9-19)6-7-18(11)16-17-14(10-21-16)13-4-2-3-5-15(13)20/h2-5,9-12,20H,6-8H2,1H3
InChIKeyHBQYCDVNDPYEDQ-UHFFFAOYSA-N
XLogP3.32
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]carbamate
CID 133395620
2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol
CID 15984509
2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 15984510
1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907682
methyl 2-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 80576726
ethyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylate
CID 71264813
1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
CID 122047336
1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbaldehyde
CID 62663442
methyl (1R,2R,5R)-3-[4-(2-hydroxy-3-methylphenyl)-1,3-thiazol-2-yl]-2-methyl-3-azabicyclo[3.1.0]hexane-1-carboxylate
CID 118681232
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzoic acid
CID 69193587
2-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-2-yl]acetic acid
CID 61009837
benzyl (2S)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate
CID 1283055

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carbaldehyde?
The IUPAC name of 1-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carbaldehyde (CID 130215044) is 1-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carbaldehyde.
What is the SMILES notation for 1-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carbaldehyde?
The canonical SMILES for 1-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carbaldehyde is CC1CC(C=O)CCN1c1nc(-c2ccccc2O)cs1.
What is the InChIKey of 1-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carbaldehyde?
The InChIKey is HBQYCDVNDPYEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-8-12(9-19)6-7-18(11)16-17-14(10-21-16)13-4-2-3-5-15(13)20/h2-5,9-12,20H,6-8H2,1H3.
What are the key properties of 1-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carbaldehyde?
1-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carbaldehyde has a molecular weight of 302.40 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carbaldehyde is sourced from PubChem (CID 130215044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).