[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C25H25FN2O5S — CID 24672333

IUPAC[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOc1cc(OC)c(C2=CCN(C(=O)c3csc(COc4ccc(F)cc4)n3)CC2)c(OC)c1
InChIInChI=1S/C25H25FN2O5S/c1-30-19-12-21(31-2)24(22(13-19)32-3)16-8-10-28(11-9-16)25(29)20-15-34-23(27-20)14-33-18-6-4-17(26)5-7-18/h4-8,12-13,15H,9-11,14H2,1-3H3
InChIKeyVRGRVZKKKUQMEL-UHFFFAOYSA-N
MW484.55 g/mol
LogP4.82
Rot. Bonds8

About [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 24672333) has the molecular formula C25H25FN2O5S and a molecular weight of 484.55 g/mol. Its IUPAC name is [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID24672333
Molecular FormulaC25H25FN2O5S
Molecular Weight484.55 g/mol
Exact Mass484.15
IUPAC Name[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOc1cc(OC)c(C2=CCN(C(=O)c3csc(COc4ccc(F)cc4)n3)CC2)c(OC)c1
InChIInChI=1S/C25H25FN2O5S/c1-30-19-12-21(31-2)24(22(13-19)32-3)16-8-10-28(11-9-16)25(29)20-15-34-23(27-20)14-33-18-6-4-17(26)5-7-18/h4-8,12-13,15H,9-11,14H2,1-3H3
InChIKeyVRGRVZKKKUQMEL-UHFFFAOYSA-N
XLogP4.82
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone with MolForge

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Related Compounds

[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 48593711
[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 24672462
(2-methoxyphenyl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 33264904
[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 24672373
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 86849606
(3S)-1-[2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carbonyl]pyrrolidine-3-carboxamide
CID 94512708
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone
CID 46510444
(4-methoxypiperidin-1-yl)-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone
CID 56810579
N-[1-(4-fluorophenyl)ethyl]-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 46671883
2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide
CID 33104782
(2-sulfanylidene-1H-pyridin-3-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 43046682
[4-[2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 18115159

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 24672333) is [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is COc1cc(OC)c(C2=CCN(C(=O)c3csc(COc4ccc(F)cc4)n3)CC2)c(OC)c1.
What is the InChIKey of [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is VRGRVZKKKUQMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O5S/c1-30-19-12-21(31-2)24(22(13-19)32-3)16-8-10-28(11-9-16)25(29)20-15-34-23(27-20)14-33-18-6-4-17(26)5-7-18/h4-8,12-13,15H,9-11,14H2,1-3H3.
What are the key properties of [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 484.55 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 24672333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).