1-(2-fluoro-3-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol

C14H16FNO2S — CID 104793596

IUPAC1-(2-fluoro-3-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
SMILESCOc1cccc(CC(O)Cc2nc(C)cs2)c1F
InChIInChI=1S/C14H16FNO2S/c1-9-8-19-13(16-9)7-11(17)6-10-4-3-5-12(18-2)14(10)15/h3-5,8,11,17H,6-7H2,1-2H3
InChIKeyRXTOGKCPURLLMA-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.75
Rot. Bonds5

About 1-(2-fluoro-3-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol

1-(2-fluoro-3-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol (PubChem CID 104793596) has the molecular formula C14H16FNO2S and a molecular weight of 281.35 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
PubChem CID104793596
Molecular FormulaC14H16FNO2S
Molecular Weight281.35 g/mol
Exact Mass281.09
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
SMILESCOc1cccc(CC(O)Cc2nc(C)cs2)c1F
InChIInChI=1S/C14H16FNO2S/c1-9-8-19-13(16-9)7-11(17)6-10-4-3-5-12(18-2)14(10)15/h3-5,8,11,17H,6-7H2,1-2H3
InChIKeyRXTOGKCPURLLMA-UHFFFAOYSA-N
XLogP2.75
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-3-thiophen-3-ylpropan-2-ol
CID 105125769
1-(2-fluoro-3-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-ol
CID 104793618
1-(2-fluoro-3-methoxyphenyl)-3-(3-methoxyphenyl)propan-2-ol
CID 104793575
1-(1-benzothiophen-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 63737757
1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol
CID 105125656
1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 55023762
1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797036
2-(2-fluoro-3-methoxyphenyl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105180632
2-(2-fluoro-3-methoxyphenyl)-1-(1,3-thiazol-4-yl)ethanol
CID 113453764
2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethanamine
CID 105180643
1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 104793601
2-(2-fluoro-3-methoxyphenyl)-1-(4-methylphenyl)ethanol
CID 104793076

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol (CID 104793596) is 1-(2-fluoro-3-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol is COc1cccc(CC(O)Cc2nc(C)cs2)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is RXTOGKCPURLLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2S/c1-9-8-19-13(16-9)7-11(17)6-10-4-3-5-12(18-2)14(10)15/h3-5,8,11,17H,6-7H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol?
1-(2-fluoro-3-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 281.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 104793596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).