2-(4-fluoro-2-methylphenyl)-1-(4-propylthiadiazol-5-yl)ethanol

C14H17FN2OS — CID 105131314

IUPAC2-(4-fluoro-2-methylphenyl)-1-(4-propylthiadiazol-5-yl)ethanol
SMILESCCCc1nnsc1C(O)Cc1ccc(F)cc1C
InChIInChI=1S/C14H17FN2OS/c1-3-4-12-14(19-17-16-12)13(18)8-10-5-6-11(15)7-9(10)2/h5-7,13,18H,3-4,8H2,1-2H3
InChIKeyKGQXMDWAYYSKOZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.21
Rot. Bonds5

About 2-(4-fluoro-2-methylphenyl)-1-(4-propylthiadiazol-5-yl)ethanol

2-(4-fluoro-2-methylphenyl)-1-(4-propylthiadiazol-5-yl)ethanol (PubChem CID 105131314) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-1-(4-propylthiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-1-(4-propylthiadiazol-5-yl)ethanol
PubChem CID105131314
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name2-(4-fluoro-2-methylphenyl)-1-(4-propylthiadiazol-5-yl)ethanol
SMILESCCCc1nnsc1C(O)Cc1ccc(F)cc1C
InChIInChI=1S/C14H17FN2OS/c1-3-4-12-14(19-17-16-12)13(18)8-10-5-6-11(15)7-9(10)2/h5-7,13,18H,3-4,8H2,1-2H3
InChIKeyKGQXMDWAYYSKOZ-UHFFFAOYSA-N
XLogP3.21
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluoro-2-methylphenyl)-1-(4-propylthiadiazol-5-yl)ethanol 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

2-(2-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105087909
[1-(4-ethylthiadiazol-5-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105340893
1-(4-ethylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol
CID 105078091
2-(4-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105132974
1-(3-chlorothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 115838295
2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105086930
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360
(3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105096391
[1-(4-tert-butylthiadiazol-5-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105340927
1-(2,5-difluorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105143808
1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-difluorophenyl)ethanol
CID 105081122
N-[(2,5-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105143839

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(4-propylthiadiazol-5-yl)ethanol?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(4-propylthiadiazol-5-yl)ethanol (CID 105131314) is 2-(4-fluoro-2-methylphenyl)-1-(4-propylthiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-1-(4-propylthiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-1-(4-propylthiadiazol-5-yl)ethanol is CCCc1nnsc1C(O)Cc1ccc(F)cc1C.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-1-(4-propylthiadiazol-5-yl)ethanol?
The InChIKey is KGQXMDWAYYSKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-3-4-12-14(19-17-16-12)13(18)8-10-5-6-11(15)7-9(10)2/h5-7,13,18H,3-4,8H2,1-2H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-1-(4-propylthiadiazol-5-yl)ethanol?
2-(4-fluoro-2-methylphenyl)-1-(4-propylthiadiazol-5-yl)ethanol has a molecular weight of 280.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-1-(4-propylthiadiazol-5-yl)ethanol is sourced from PubChem (CID 105131314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).