4-[(3-fluoro-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole

C14H16FNO2S — CID 86850292

IUPAC4-[(3-fluoro-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
SMILESCOc1ccc(OCc2csc(C(C)C)n2)cc1F
InChIInChI=1S/C14H16FNO2S/c1-9(2)14-16-10(8-19-14)7-18-11-4-5-13(17-3)12(15)6-11/h4-6,8-9H,7H2,1-3H3
InChIKeyDWVNPGVVKQSCPZ-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.99
Rot. Bonds5

About 4-[(3-fluoro-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole

4-[(3-fluoro-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole (PubChem CID 86850292) has the molecular formula C14H16FNO2S and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-[(3-fluoro-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(3-fluoro-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
PubChem CID86850292
Molecular FormulaC14H16FNO2S
Molecular Weight281.35 g/mol
Exact Mass281.09
IUPAC Name4-[(3-fluoro-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
SMILESCOc1ccc(OCc2csc(C(C)C)n2)cc1F
InChIInChI=1S/C14H16FNO2S/c1-9(2)14-16-10(8-19-14)7-18-11-4-5-13(17-3)12(15)6-11/h4-6,8-9H,7H2,1-3H3
InChIKeyDWVNPGVVKQSCPZ-UHFFFAOYSA-N
XLogP3.99
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(3-fluoro-4-methoxyphenoxy)methyl]-2-propan-2-yl-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-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 104704731
5-methoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 61037478
1-[3-methoxy-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 61487675
(1R)-1-[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 63364376
4-(3-fluoro-4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
CID 59333191
7-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]chromen-2-one
CID 38866745
[5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol
CID 79799349
1-[4-fluoro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 63064444
1-(3,4-difluorophenoxy)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 111104802
[3,5-difluoro-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 79888499
4-[(4-bromo-2-methylphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 63530798
(1R)-1-[5-chloro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 63366748

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-[(3-fluoro-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole (CID 86850292) is 4-[(3-fluoro-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[(3-fluoro-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-[(3-fluoro-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole is COc1ccc(OCc2csc(C(C)C)n2)cc1F.
What is the InChIKey of 4-[(3-fluoro-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole?
The InChIKey is DWVNPGVVKQSCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2S/c1-9(2)14-16-10(8-19-14)7-18-11-4-5-13(17-3)12(15)6-11/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 4-[(3-fluoro-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole?
4-[(3-fluoro-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole has a molecular weight of 281.35 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 86850292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).