[4-fluoro-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]methanol

C13H15FN2O2S — CID 138052447

IUPAC[4-fluoro-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]methanol
SMILESCC(C)c1nnc(COc2cc(F)ccc2CO)s1
InChIInChI=1S/C13H15FN2O2S/c1-8(2)13-16-15-12(19-13)7-18-11-5-10(14)4-3-9(11)6-17/h3-5,8,17H,6-7H2,1-2H3
InChIKeyDWLBISGCPSYAPN-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.87
Rot. Bonds5

About [4-fluoro-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]methanol

[4-fluoro-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]methanol (PubChem CID 138052447) has the molecular formula C13H15FN2O2S and a molecular weight of 282.34 g/mol. Its IUPAC name is [4-fluoro-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-fluoro-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]methanol
PubChem CID138052447
Molecular FormulaC13H15FN2O2S
Molecular Weight282.34 g/mol
Exact Mass282.08
IUPAC Name[4-fluoro-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]methanol
SMILESCC(C)c1nnc(COc2cc(F)ccc2CO)s1
InChIInChI=1S/C13H15FN2O2S/c1-8(2)13-16-15-12(19-13)7-18-11-5-10(14)4-3-9(11)6-17/h3-5,8,17H,6-7H2,1-2H3
InChIKeyDWLBISGCPSYAPN-UHFFFAOYSA-N
XLogP2.87
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-fluoro-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]methanol?
The IUPAC name of [4-fluoro-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]methanol (CID 138052447) is [4-fluoro-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [4-fluoro-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]methanol?
The canonical SMILES for [4-fluoro-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]methanol is CC(C)c1nnc(COc2cc(F)ccc2CO)s1.
What is the InChIKey of [4-fluoro-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]methanol?
The InChIKey is DWLBISGCPSYAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S/c1-8(2)13-16-15-12(19-13)7-18-11-5-10(14)4-3-9(11)6-17/h3-5,8,17H,6-7H2,1-2H3.
What are the key properties of [4-fluoro-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]methanol?
[4-fluoro-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]methanol has a molecular weight of 282.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 138052447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).