[2-[(3-fluorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanol

C12H12FNO2S — CID 82119837

IUPAC[2-[(3-fluorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanol
SMILESCc1nc(COc2cccc(F)c2)sc1CO
InChIInChI=1S/C12H12FNO2S/c1-8-11(6-15)17-12(14-8)7-16-10-4-2-3-9(13)5-10/h2-5,15H,6-7H2,1H3
InChIKeyQYBWRNQZLVYMMJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.66
Rot. Bonds4

About [2-[(3-fluorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanol

[2-[(3-fluorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanol (PubChem CID 82119837) has the molecular formula C12H12FNO2S and a molecular weight of 253.30 g/mol. Its IUPAC name is [2-[(3-fluorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[(3-fluorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanol
PubChem CID82119837
Molecular FormulaC12H12FNO2S
Molecular Weight253.30 g/mol
Exact Mass253.06
IUPAC Name[2-[(3-fluorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanol
SMILESCc1nc(COc2cccc(F)c2)sc1CO
InChIInChI=1S/C12H12FNO2S/c1-8-11(6-15)17-12(14-8)7-16-10-4-2-3-9(13)5-10/h2-5,15H,6-7H2,1H3
InChIKeyQYBWRNQZLVYMMJ-UHFFFAOYSA-N
XLogP2.66
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[(3-fluorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanol (CID 82119837) is [2-[(3-fluorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[(3-fluorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[(3-fluorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanol is Cc1nc(COc2cccc(F)c2)sc1CO.
What is the InChIKey of [2-[(3-fluorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanol?
The InChIKey is QYBWRNQZLVYMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2S/c1-8-11(6-15)17-12(14-8)7-16-10-4-2-3-9(13)5-10/h2-5,15H,6-7H2,1H3.
What are the key properties of [2-[(3-fluorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanol?
[2-[(3-fluorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanol has a molecular weight of 253.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82119837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).