3-(4-fluorophenyl)-3-methyl-1-(1,3-thiazol-2-yl)butan-2-ol

C14H16FNOS — CID 79824785

IUPAC3-(4-fluorophenyl)-3-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
SMILESCC(C)(c1ccc(F)cc1)C(O)Cc1nccs1
InChIInChI=1S/C14H16FNOS/c1-14(2,10-3-5-11(15)6-4-10)12(17)9-13-16-7-8-18-13/h3-8,12,17H,9H2,1-2H3
InChIKeyKWBLFSGWMKZSNQ-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.16
Rot. Bonds4

About 3-(4-fluorophenyl)-3-methyl-1-(1,3-thiazol-2-yl)butan-2-ol

3-(4-fluorophenyl)-3-methyl-1-(1,3-thiazol-2-yl)butan-2-ol (PubChem CID 79824785) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-methyl-1-(1,3-thiazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
PubChem CID79824785
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name3-(4-fluorophenyl)-3-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
SMILESCC(C)(c1ccc(F)cc1)C(O)Cc1nccs1
InChIInChI=1S/C14H16FNOS/c1-14(2,10-3-5-11(15)6-4-10)12(17)9-13-16-7-8-18-13/h3-8,12,17H,9H2,1-2H3
InChIKeyKWBLFSGWMKZSNQ-UHFFFAOYSA-N
XLogP3.16
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-methyl-1-(1,3-thiazol-2-yl)butan-2-ol?
The IUPAC name of 3-(4-fluorophenyl)-3-methyl-1-(1,3-thiazol-2-yl)butan-2-ol (CID 79824785) is 3-(4-fluorophenyl)-3-methyl-1-(1,3-thiazol-2-yl)butan-2-ol.
What is the SMILES notation for 3-(4-fluorophenyl)-3-methyl-1-(1,3-thiazol-2-yl)butan-2-ol?
The canonical SMILES for 3-(4-fluorophenyl)-3-methyl-1-(1,3-thiazol-2-yl)butan-2-ol is CC(C)(c1ccc(F)cc1)C(O)Cc1nccs1.
What is the InChIKey of 3-(4-fluorophenyl)-3-methyl-1-(1,3-thiazol-2-yl)butan-2-ol?
The InChIKey is KWBLFSGWMKZSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-14(2,10-3-5-11(15)6-4-10)12(17)9-13-16-7-8-18-13/h3-8,12,17H,9H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-3-methyl-1-(1,3-thiazol-2-yl)butan-2-ol?
3-(4-fluorophenyl)-3-methyl-1-(1,3-thiazol-2-yl)butan-2-ol has a molecular weight of 265.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-methyl-1-(1,3-thiazol-2-yl)butan-2-ol is sourced from PubChem (CID 79824785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).