4-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-methyl-1,3-thiazole

C18H16FNO2S — CID 112769637

IUPAC4-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-methyl-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3cccc(F)c3)sc2C)c(OC)c1
InChIInChI=1S/C18H16FNO2S/c1-11-17(15-8-7-14(21-2)10-16(15)22-3)20-18(23-11)12-5-4-6-13(19)9-12/h4-10H,1-3H3
InChIKeyXXUMBTIHXYGMAG-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.94
Rot. Bonds4

About 4-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-methyl-1,3-thiazole

4-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-methyl-1,3-thiazole (PubChem CID 112769637) has the molecular formula C18H16FNO2S and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-methyl-1,3-thiazole
PubChem CID112769637
Molecular FormulaC18H16FNO2S
Molecular Weight329.40 g/mol
Exact Mass329.09
IUPAC Name4-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-methyl-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3cccc(F)c3)sc2C)c(OC)c1
InChIInChI=1S/C18H16FNO2S/c1-11-17(15-8-7-14(21-2)10-16(15)22-3)20-18(23-11)12-5-4-6-13(19)9-12/h4-10H,1-3H3
InChIKeyXXUMBTIHXYGMAG-UHFFFAOYSA-N
XLogP4.94
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylaniline
CID 112798184
2-(5-bromo-2-methoxyphenyl)-4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole
CID 112769638
2-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-5-methyl-1,3-thiazole
CID 9467644
1-(3-fluorophenyl)-2-iodo-4-methoxybenzene
CID 172675013
2-(3-fluorophenyl)-6-methoxynaphthalene
CID 45156519
3-fluoro-1-(3-fluorophenyl)-4-methoxy-2-methylbenzene
CID 118149747
4-(3-fluorophenyl)-3-methoxyaniline
CID 82106976
2-(3-fluorophenyl)-5-methoxybenzaldehyde
CID 46314389
3-(3-fluorophenyl)-2-methoxy-6-methylpyridine
CID 46312939
5-(4-fluorophenyl)-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole
CID 118152375
1-chloro-2-(2,4-dimethoxyphenyl)-3-fluorobenzene
CID 146431475
4-(3-fluorophenyl)-2-methoxy-5-methylaniline
CID 171037302

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-methyl-1,3-thiazole?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-methyl-1,3-thiazole (CID 112769637) is 4-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-methyl-1,3-thiazole is COc1ccc(-c2nc(-c3cccc(F)c3)sc2C)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-methyl-1,3-thiazole?
The InChIKey is XXUMBTIHXYGMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2S/c1-11-17(15-8-7-14(21-2)10-16(15)22-3)20-18(23-11)12-5-4-6-13(19)9-12/h4-10H,1-3H3.
What are the key properties of 4-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-methyl-1,3-thiazole?
4-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-methyl-1,3-thiazole has a molecular weight of 329.40 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 112769637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).