1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-3-phenylmethoxypyridin-4-one

C16H16N2O2S — CID 6482123

IUPAC1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-3-phenylmethoxypyridin-4-one
SMILESO=c1ccn(CC2=NCCS2)cc1OCc1ccccc1
InChIInChI=1S/C16H16N2O2S/c19-14-6-8-18(11-16-17-7-9-21-16)10-15(14)20-12-13-4-2-1-3-5-13/h1-6,8,10H,7,9,11-12H2
InChIKeyDXWLVQZBEXHROL-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.57
Rot. Bonds5

About 1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-3-phenylmethoxypyridin-4-one

1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-3-phenylmethoxypyridin-4-one (PubChem CID 6482123) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-3-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-3-phenylmethoxypyridin-4-one
PubChem CID6482123
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-3-phenylmethoxypyridin-4-one
SMILESO=c1ccn(CC2=NCCS2)cc1OCc1ccccc1
InChIInChI=1S/C16H16N2O2S/c19-14-6-8-18(11-16-17-7-9-21-16)10-15(14)20-12-13-4-2-1-3-5-13/h1-6,8,10H,7,9,11-12H2
InChIKeyDXWLVQZBEXHROL-UHFFFAOYSA-N
XLogP2.57
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-3-phenylmethoxypyridin-4-one 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-phenylmethoxy-4,5-dihydro-1,3-thiazole
CID 174841495
1-(4-chlorophenyl)-3-phenylmethoxypyridin-4-one
CID 178047506
1-(hydroxymethyl)-3-[(4-methoxyphenyl)methoxy]pyridin-4-one
CID 154265521
1-benzyl-4-oxo-5-phenylmethoxypyridine-2-carbaldehyde
CID 4607667
1-(4-butylphenyl)-3-phenylmethoxypyridin-4-one
CID 67419599
1-(2-aminoethyl)-3-hydroxypyridin-4-one;3-phenylmethoxypyran-4-one
CID 158991927
2-(3,5-diiodo-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-thiazole
CID 132593082
1-(2-oxopropyl)-3-phenylmethoxypyridin-2-one
CID 135225818
2-(aminomethyl)-1-methyl-5-phenylmethoxypyridin-4-one
CID 11172595
1-(2-phenylmethoxyphenoxy)azetidin-2-one
CID 67621881
1-[(4-chlorophenyl)methyl]-3-(4-phenylmethoxyphenyl)pyrrole
CID 141148615
6,13-bis(3-phenylmethoxy-2-pyridinyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 58995891

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-3-phenylmethoxypyridin-4-one?
The IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-3-phenylmethoxypyridin-4-one (CID 6482123) is 1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-3-phenylmethoxypyridin-4-one.
What is the SMILES notation for 1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-3-phenylmethoxypyridin-4-one?
The canonical SMILES for 1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-3-phenylmethoxypyridin-4-one is O=c1ccn(CC2=NCCS2)cc1OCc1ccccc1.
What is the InChIKey of 1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-3-phenylmethoxypyridin-4-one?
The InChIKey is DXWLVQZBEXHROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c19-14-6-8-18(11-16-17-7-9-21-16)10-15(14)20-12-13-4-2-1-3-5-13/h1-6,8,10H,7,9,11-12H2.
What are the key properties of 1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-3-phenylmethoxypyridin-4-one?
1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-3-phenylmethoxypyridin-4-one has a molecular weight of 300.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-3-phenylmethoxypyridin-4-one is sourced from PubChem (CID 6482123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).