3-fluoro-4-(3-fluoro-4-phenylmethoxyphenoxy)-2H-1,3-thiazole

C16H13F2NO2S — CID 87533070

IUPAC3-fluoro-4-(3-fluoro-4-phenylmethoxyphenoxy)-2H-1,3-thiazole
SMILESFc1cc(OC2=CSCN2F)ccc1OCc1ccccc1
InChIInChI=1S/C16H13F2NO2S/c17-14-8-13(21-16-10-22-11-19(16)18)6-7-15(14)20-9-12-4-2-1-3-5-12/h1-8,10H,9,11H2
InChIKeyBNXHAXNTXDVPAH-UHFFFAOYSA-N
MW321.35 g/mol
LogP4.47
Rot. Bonds5

About 3-fluoro-4-(3-fluoro-4-phenylmethoxyphenoxy)-2H-1,3-thiazole

3-fluoro-4-(3-fluoro-4-phenylmethoxyphenoxy)-2H-1,3-thiazole (PubChem CID 87533070) has the molecular formula C16H13F2NO2S and a molecular weight of 321.35 g/mol. Its IUPAC name is 3-fluoro-4-(3-fluoro-4-phenylmethoxyphenoxy)-2H-1,3-thiazole.

Molecular Properties

Compound Name3-fluoro-4-(3-fluoro-4-phenylmethoxyphenoxy)-2H-1,3-thiazole
PubChem CID87533070
Molecular FormulaC16H13F2NO2S
Molecular Weight321.35 g/mol
Exact Mass321.06
IUPAC Name3-fluoro-4-(3-fluoro-4-phenylmethoxyphenoxy)-2H-1,3-thiazole
SMILESFc1cc(OC2=CSCN2F)ccc1OCc1ccccc1
InChIInChI=1S/C16H13F2NO2S/c17-14-8-13(21-16-10-22-11-19(16)18)6-7-15(14)20-9-12-4-2-1-3-5-12/h1-8,10H,9,11H2
InChIKeyBNXHAXNTXDVPAH-UHFFFAOYSA-N
XLogP4.47
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-fluoro-4-(3-fluoro-4-phenylmethoxyphenoxy)-2H-1,3-thiazole 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

[4-(3-fluoro-4-phenylmethoxyphenoxy)phenyl]methanamine
CID 143961012
2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene
CID 54485852
4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene
CID 54061452
1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207
N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 59768400
2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684
1-(3-fluoro-4-phenylmethoxyphenyl)-N-methoxymethanamine
CID 117407186
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
5-(3-fluoro-4-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117498686
4,4-difluoro-1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexan-1-amine
CID 146572380
(1R)-2-amino-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 68939021
(1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine
CID 93009968

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-fluoro-4-phenylmethoxyphenoxy)-2H-1,3-thiazole?
The IUPAC name of 3-fluoro-4-(3-fluoro-4-phenylmethoxyphenoxy)-2H-1,3-thiazole (CID 87533070) is 3-fluoro-4-(3-fluoro-4-phenylmethoxyphenoxy)-2H-1,3-thiazole.
What is the SMILES notation for 3-fluoro-4-(3-fluoro-4-phenylmethoxyphenoxy)-2H-1,3-thiazole?
The canonical SMILES for 3-fluoro-4-(3-fluoro-4-phenylmethoxyphenoxy)-2H-1,3-thiazole is Fc1cc(OC2=CSCN2F)ccc1OCc1ccccc1.
What is the InChIKey of 3-fluoro-4-(3-fluoro-4-phenylmethoxyphenoxy)-2H-1,3-thiazole?
The InChIKey is BNXHAXNTXDVPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO2S/c17-14-8-13(21-16-10-22-11-19(16)18)6-7-15(14)20-9-12-4-2-1-3-5-12/h1-8,10H,9,11H2.
What are the key properties of 3-fluoro-4-(3-fluoro-4-phenylmethoxyphenoxy)-2H-1,3-thiazole?
3-fluoro-4-(3-fluoro-4-phenylmethoxyphenoxy)-2H-1,3-thiazole has a molecular weight of 321.35 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(3-fluoro-4-phenylmethoxyphenoxy)-2H-1,3-thiazole is sourced from PubChem (CID 87533070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).