1-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol

C15H17F2NOS — CID 58031186

IUPAC1-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol
SMILESCC(C)(C)C(O)(Cc1ccc(F)cc1F)c1cncs1
InChIInChI=1S/C15H17F2NOS/c1-14(2,3)15(19,13-8-18-9-20-13)7-10-4-5-11(16)6-12(10)17/h4-6,8-9,19H,7H2,1-3H3
InChIKeyZPPHSXIOFCHPKU-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.90
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol

1-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol (PubChem CID 58031186) has the molecular formula C15H17F2NOS and a molecular weight of 297.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol
PubChem CID58031186
Molecular FormulaC15H17F2NOS
Molecular Weight297.37 g/mol
Exact Mass297.10
IUPAC Name1-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol
SMILESCC(C)(C)C(O)(Cc1ccc(F)cc1F)c1cncs1
InChIInChI=1S/C15H17F2NOS/c1-14(2,3)15(19,13-8-18-9-20-13)7-10-4-5-11(16)6-12(10)17/h4-6,8-9,19H,7H2,1-3H3
InChIKeyZPPHSXIOFCHPKU-UHFFFAOYSA-N
XLogP3.90
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol?
The IUPAC name of 1-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol (CID 58031186) is 1-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol is CC(C)(C)C(O)(Cc1ccc(F)cc1F)c1cncs1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol?
The InChIKey is ZPPHSXIOFCHPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NOS/c1-14(2,3)15(19,13-8-18-9-20-13)7-10-4-5-11(16)6-12(10)17/h4-6,8-9,19H,7H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol?
1-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol has a molecular weight of 297.37 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol is sourced from PubChem (CID 58031186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).