2-quinazolin-4-yloxy-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone

C18H18N4O2S — CID 91782874

IUPAC2-quinazolin-4-yloxy-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(COc1ncnc2ccccc12)N1CCCCC1c1nccs1
InChIInChI=1S/C18H18N4O2S/c23-16(22-9-4-3-7-15(22)18-19-8-10-25-18)11-24-17-13-5-1-2-6-14(13)20-12-21-17/h1-2,5-6,8,10,12,15H,3-4,7,9,11H2
InChIKeyRNRQJAGEXCFCEZ-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.22
Rot. Bonds4

About 2-quinazolin-4-yloxy-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone

2-quinazolin-4-yloxy-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 91782874) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-quinazolin-4-yloxy-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-quinazolin-4-yloxy-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID91782874
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2-quinazolin-4-yloxy-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(COc1ncnc2ccccc12)N1CCCCC1c1nccs1
InChIInChI=1S/C18H18N4O2S/c23-16(22-9-4-3-7-15(22)18-19-8-10-25-18)11-24-17-13-5-1-2-6-14(13)20-12-21-17/h1-2,5-6,8,10,12,15H,3-4,7,9,11H2
InChIKeyRNRQJAGEXCFCEZ-UHFFFAOYSA-N
XLogP3.22
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-quinazolin-4-yloxy-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone 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

1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 99974769
2-[4-(tetrazol-1-yl)phenoxy]-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 91772032
(3R)-3-phenyl-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 95770134
1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 125010492
1-[(2S)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 129454279
1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 124949467
1-[(2S)-2-methylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone
CID 2705181
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95761217
2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 97191446
3-[(2R)-oxolan-2-yl]-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95761192
methyl 4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanoate
CID 110750323

Frequently Asked Questions

What is the IUPAC name of 2-quinazolin-4-yloxy-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-quinazolin-4-yloxy-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone (CID 91782874) is 2-quinazolin-4-yloxy-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-quinazolin-4-yloxy-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-quinazolin-4-yloxy-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone is O=C(COc1ncnc2ccccc12)N1CCCCC1c1nccs1.
What is the InChIKey of 2-quinazolin-4-yloxy-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is RNRQJAGEXCFCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c23-16(22-9-4-3-7-15(22)18-19-8-10-25-18)11-24-17-13-5-1-2-6-14(13)20-12-21-17/h1-2,5-6,8,10,12,15H,3-4,7,9,11H2.
What are the key properties of 2-quinazolin-4-yloxy-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
2-quinazolin-4-yloxy-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 354.44 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinazolin-4-yloxy-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 91782874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).