4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole

C12H12FNOS — CID 107923260

IUPAC4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole
SMILESCCc1csc(-c2ccc(F)c(OC)c2)n1
InChIInChI=1S/C12H12FNOS/c1-3-9-7-16-12(14-9)8-4-5-10(13)11(6-8)15-2/h4-7H,3H2,1-2H3
InChIKeyNVCVTNJPFBERKR-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.52
Rot. Bonds3

About 4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole

4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole (PubChem CID 107923260) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole
PubChem CID107923260
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole
SMILESCCc1csc(-c2ccc(F)c(OC)c2)n1
InChIInChI=1S/C12H12FNOS/c1-3-9-7-16-12(14-9)8-4-5-10(13)11(6-8)15-2/h4-7H,3H2,1-2H3
InChIKeyNVCVTNJPFBERKR-UHFFFAOYSA-N
XLogP3.52
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethoxymethyl)-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole
CID 114016215
2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 112692422
2-[2-(4-fluoro-3-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 107922554
4-ethyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 122488012
4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one
CID 136938663
[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107922458
2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 22692340
N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 112797223
2-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20985054
N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60640937
1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 61282596
3-bromo-5-(4-fluoro-3-methoxyphenyl)-1,2,4-thiadiazole
CID 102943492

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole (CID 107923260) is 4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole is CCc1csc(-c2ccc(F)c(OC)c2)n1.
What is the InChIKey of 4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole?
The InChIKey is NVCVTNJPFBERKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c1-3-9-7-16-12(14-9)8-4-5-10(13)11(6-8)15-2/h4-7H,3H2,1-2H3.
What are the key properties of 4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole?
4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole has a molecular weight of 237.30 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 107923260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).