[5-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol

C16H20FNOS — CID 170709322

IUPAC[5-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol
SMILESCC(C)c1cccc(CC(C)c2cc(CO)ns2)c1F
InChIInChI=1S/C16H20FNOS/c1-10(2)14-6-4-5-12(16(14)17)7-11(3)15-8-13(9-19)18-20-15/h4-6,8,10-11,19H,7,9H2,1-3H3
InChIKeyDAFBPHSHXWRMOE-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.24
Rot. Bonds5

About [5-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol

[5-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol (PubChem CID 170709322) has the molecular formula C16H20FNOS and a molecular weight of 293.41 g/mol. Its IUPAC name is [5-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol
PubChem CID170709322
Molecular FormulaC16H20FNOS
Molecular Weight293.41 g/mol
Exact Mass293.12
IUPAC Name[5-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol
SMILESCC(C)c1cccc(CC(C)c2cc(CO)ns2)c1F
InChIInChI=1S/C16H20FNOS/c1-10(2)14-6-4-5-12(16(14)17)7-11(3)15-8-13(9-19)18-20-15/h4-6,8,10-11,19H,7,9H2,1-3H3
InChIKeyDAFBPHSHXWRMOE-UHFFFAOYSA-N
XLogP4.24
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-Fluorophenyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 119094110
[3-(4-Trifluoromethyl-phenyl)-isothiazol-5-yl]-methanol
CID 59212200
2-(3-(4-Fluorophenyl)isothiazol-5-yl)propan-2-ol
CID 68328241
[5-(2-Fluoro-4-methylphenyl)-3-methyl-1,2-thiazol-4-yl]methanol
CID 90418044
[5-(2,4-Dimethylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
CID 90418352
[3-Ethyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-4-yl]methanol
CID 90418726
(2-Fluoro-5-methylphenyl)-(1,2-thiazol-5-yl)methanol
CID 143918348
1-[4-[5-(Trifluoromethyl)-1,2-thiazol-3-yl]phenyl]ethanol
CID 152078970
[5-[1-(3-Ethyl-2-fluorophenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol
CID 170709310
(1R)-1-[2-[1-amino-2-[(3-ethyl-1,2-thiazol-5-yl)methyl]-3-methyliminoprop-1-enyl]-5-fluorophenyl]ethanol
CID 173981989
(3-Methyl-1,2-thiazol-5-yl)-phenylmethanol
CID 91620842
(2-Fluorophenyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 119094109

Frequently Asked Questions

What is the IUPAC name of [5-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol?
The IUPAC name of [5-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol (CID 170709322) is [5-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol.
What is the SMILES notation for [5-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol?
The canonical SMILES for [5-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol is CC(C)c1cccc(CC(C)c2cc(CO)ns2)c1F.
What is the InChIKey of [5-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol?
The InChIKey is DAFBPHSHXWRMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNOS/c1-10(2)14-6-4-5-12(16(14)17)7-11(3)15-8-13(9-19)18-20-15/h4-6,8,10-11,19H,7,9H2,1-3H3.
What are the key properties of [5-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol?
[5-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol has a molecular weight of 293.41 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol is sourced from PubChem (CID 170709322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).