[2-[2-(4-hydroxyphenyl)ethynyl]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone

C17H16N2O2S — CID 58227499

IUPAC[2-[2-(4-hydroxyphenyl)ethynyl]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(C#Cc2ccc(O)cc2)s1)N1CCCCC1
InChIInChI=1S/C17H16N2O2S/c20-14-7-4-13(5-8-14)6-9-16-18-12-15(22-16)17(21)19-10-2-1-3-11-19/h4-5,7-8,12,20H,1-3,10-11H2
InChIKeyIUVPAZMUFFVNJZ-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.87
Rot. Bonds1

About [2-[2-(4-hydroxyphenyl)ethynyl]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone

[2-[2-(4-hydroxyphenyl)ethynyl]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 58227499) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is [2-[2-(4-hydroxyphenyl)ethynyl]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[2-(4-hydroxyphenyl)ethynyl]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
PubChem CID58227499
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name[2-[2-(4-hydroxyphenyl)ethynyl]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(C#Cc2ccc(O)cc2)s1)N1CCCCC1
InChIInChI=1S/C17H16N2O2S/c20-14-7-4-13(5-8-14)6-9-16-18-12-15(22-16)17(21)19-10-2-1-3-11-19/h4-5,7-8,12,20H,1-3,10-11H2
InChIKeyIUVPAZMUFFVNJZ-UHFFFAOYSA-N
XLogP2.87
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-[2-(4-hydroxyphenyl)ethynyl]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[2-(3-methoxyphenyl)ethynyl]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 58227454
methyl 1-[2-(2-phenylethynyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate
CID 58227478
[2-(2-phenylethynyl)-1,3-thiazol-5-yl]-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 51355372
[2-[2-(3-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]-(4-fluoropiperidin-1-yl)methanone
CID 51354791
[2-[2-(3-chlorophenyl)ethynyl]-1,3-thiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 51355652
[2-(furan-3-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 84584448
[1-(2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 86990968
azepan-1-yl-[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]methanone
CID 2394761
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
azepan-1-yl-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]methanone
CID 135573124
[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-piperidin-1-ylmethanone
CID 53384866
2-(azepane-1-carbonyl)-[1,3]thiazino[3,2-a]benzimidazol-4-one
CID 46326124

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-hydroxyphenyl)ethynyl]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[2-(4-hydroxyphenyl)ethynyl]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone (CID 58227499) is [2-[2-(4-hydroxyphenyl)ethynyl]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[2-(4-hydroxyphenyl)ethynyl]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[2-(4-hydroxyphenyl)ethynyl]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone is O=C(c1cnc(C#Cc2ccc(O)cc2)s1)N1CCCCC1.
What is the InChIKey of [2-[2-(4-hydroxyphenyl)ethynyl]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is IUVPAZMUFFVNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c20-14-7-4-13(5-8-14)6-9-16-18-12-15(22-16)17(21)19-10-2-1-3-11-19/h4-5,7-8,12,20H,1-3,10-11H2.
What are the key properties of [2-[2-(4-hydroxyphenyl)ethynyl]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
[2-[2-(4-hydroxyphenyl)ethynyl]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 312.39 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-hydroxyphenyl)ethynyl]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 58227499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).