[2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone

C25H26FN3O3S — CID 42866894

IUPAC[2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)c2csc(-c3ccc(OCc4ccccc4F)c(OC)c3)n2)CC1
InChIInChI=1S/C25H26FN3O3S/c1-3-10-28-11-13-29(14-12-28)25(30)21-17-33-24(27-21)18-8-9-22(23(15-18)31-2)32-16-19-6-4-5-7-20(19)26/h3-9,15,17H,1,10-14,16H2,2H3
InChIKeyIYAMKHJRZAZEOK-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.48
Rot. Bonds8

About [2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone

[2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone (PubChem CID 42866894) has the molecular formula C25H26FN3O3S and a molecular weight of 467.57 g/mol. Its IUPAC name is [2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
PubChem CID42866894
Molecular FormulaC25H26FN3O3S
Molecular Weight467.57 g/mol
Exact Mass467.17
IUPAC Name[2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)c2csc(-c3ccc(OCc4ccccc4F)c(OC)c3)n2)CC1
InChIInChI=1S/C25H26FN3O3S/c1-3-10-28-11-13-29(14-12-28)25(30)21-17-33-24(27-21)18-8-9-22(23(15-18)31-2)32-16-19-6-4-5-7-20(19)26/h3-9,15,17H,1,10-14,16H2,2H3
InChIKeyIYAMKHJRZAZEOK-UHFFFAOYSA-N
XLogP4.48
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone 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-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 27756694
1-[4-[2-(3-methoxy-4-prop-2-enoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
CID 42865910
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
CID 46067858
[2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
CID 46165072
N-benzyl-2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazole-4-carboxamide
CID 46164980
(4-benzyl-1,4-diazepan-1-yl)-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 18157558
2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 154811104
(3,4-dimethoxyphenyl)-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 33002448
2-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 9091258
N-(2-fluorophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46165537
2-[2-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20987679
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 43016811

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone?
The IUPAC name of [2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone (CID 42866894) is [2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone is C=CCN1CCN(C(=O)c2csc(-c3ccc(OCc4ccccc4F)c(OC)c3)n2)CC1.
What is the InChIKey of [2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone?
The InChIKey is IYAMKHJRZAZEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3S/c1-3-10-28-11-13-29(14-12-28)25(30)21-17-33-24(27-21)18-8-9-22(23(15-18)31-2)32-16-19-6-4-5-7-20(19)26/h3-9,15,17H,1,10-14,16H2,2H3.
What are the key properties of [2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone?
[2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone has a molecular weight of 467.57 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone is sourced from PubChem (CID 42866894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).