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

C15H18FNOS — CID 112679362

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-ol
SMILESCCC(O)(Cc1nc(C)c(C)s1)c1ccccc1F
InChIInChI=1S/C15H18FNOS/c1-4-15(18,12-7-5-6-8-13(12)16)9-14-17-10(2)11(3)19-14/h5-8,18H,4,9H2,1-3H3
InChIKeyRHYRGENEXCUACA-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.74
Rot. Bonds4

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

1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-ol (PubChem CID 112679362) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-ol.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-ol
PubChem CID112679362
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-ol
SMILESCCC(O)(Cc1nc(C)c(C)s1)c1ccccc1F
InChIInChI=1S/C15H18FNOS/c1-4-15(18,12-7-5-6-8-13(12)16)9-14-17-10(2)11(3)19-14/h5-8,18H,4,9H2,1-3H3
InChIKeyRHYRGENEXCUACA-UHFFFAOYSA-N
XLogP3.74
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-1-[4-[(E)-styryl]thiazol-2-yl]ethanol
CID 46942445
1-phenyl-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethanol
CID 49790688
1-(4-Methyl-5-thiazolyl)-1-phenylmethanol
CID 22101805
(4-Fluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 22101844
1-(4-Methyl-1,3-thiazol-5-yl)-2-phenylethanol
CID 54671016
2-(4-Fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 54671114
1-(3,4-difluorophenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethanol
CID 49790426
1-(2-Benzyl-4-methyl-1,3-thiazol-5-yl)ethan-1-ol
CID 53621887
2-[2-Hydroxy-2-(2-trifluoromethylphenyl)ethyl]-4,5-dimethyl-1,3-thiazole
CID 80304972
2-[2-Hydroxy-2-(3-trifluoromethylphenyl)ethyl]-4,5-dimethyl-1,3-thiazole
CID 80305398
2-[2-Hydroxy-2-(3-fluorophenyl)ethyl]-5-methyl-4-phenyl-1,3-thiazole
CID 129796772
2-[2-Hydroxy-2-(2-fluorophenyl)ethyl]-5-methyl-4-phenyl-1,3-thiazole
CID 129799082

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-ol?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-ol (CID 112679362) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-ol.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-ol?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-ol is CCC(O)(Cc1nc(C)c(C)s1)c1ccccc1F.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-ol?
The InChIKey is RHYRGENEXCUACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-4-15(18,12-7-5-6-8-13(12)16)9-14-17-10(2)11(3)19-14/h5-8,18H,4,9H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-ol?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-ol is sourced from PubChem (CID 112679362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).