3-[[5-[2-(4-fluorophenyl)propylamino]-1,2,4-thiadiazol-3-yl]methyl]phenol

C18H18FN3OS — CID 71281577

IUPAC3-[[5-[2-(4-fluorophenyl)propylamino]-1,2,4-thiadiazol-3-yl]methyl]phenol
SMILESCC(CNc1nc(Cc2cccc(O)c2)ns1)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3OS/c1-12(14-5-7-15(19)8-6-14)11-20-18-21-17(22-24-18)10-13-3-2-4-16(23)9-13/h2-9,12,23H,10-11H2,1H3,(H,20,21,22)
InChIKeyGIZSYCIFXLTTAM-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.19
Rot. Bonds6

About 3-[[5-[2-(4-fluorophenyl)propylamino]-1,2,4-thiadiazol-3-yl]methyl]phenol

3-[[5-[2-(4-fluorophenyl)propylamino]-1,2,4-thiadiazol-3-yl]methyl]phenol (PubChem CID 71281577) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[[5-[2-(4-fluorophenyl)propylamino]-1,2,4-thiadiazol-3-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[5-[2-(4-fluorophenyl)propylamino]-1,2,4-thiadiazol-3-yl]methyl]phenol
PubChem CID71281577
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC Name3-[[5-[2-(4-fluorophenyl)propylamino]-1,2,4-thiadiazol-3-yl]methyl]phenol
SMILESCC(CNc1nc(Cc2cccc(O)c2)ns1)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3OS/c1-12(14-5-7-15(19)8-6-14)11-20-18-21-17(22-24-18)10-13-3-2-4-16(23)9-13/h2-9,12,23H,10-11H2,1H3,(H,20,21,22)
InChIKeyGIZSYCIFXLTTAM-UHFFFAOYSA-N
XLogP4.19
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[2-(4-fluorophenyl)propylamino]-1,2,4-thiadiazol-3-yl]methyl]phenol?
The IUPAC name of 3-[[5-[2-(4-fluorophenyl)propylamino]-1,2,4-thiadiazol-3-yl]methyl]phenol (CID 71281577) is 3-[[5-[2-(4-fluorophenyl)propylamino]-1,2,4-thiadiazol-3-yl]methyl]phenol.
What is the SMILES notation for 3-[[5-[2-(4-fluorophenyl)propylamino]-1,2,4-thiadiazol-3-yl]methyl]phenol?
The canonical SMILES for 3-[[5-[2-(4-fluorophenyl)propylamino]-1,2,4-thiadiazol-3-yl]methyl]phenol is CC(CNc1nc(Cc2cccc(O)c2)ns1)c1ccc(F)cc1.
What is the InChIKey of 3-[[5-[2-(4-fluorophenyl)propylamino]-1,2,4-thiadiazol-3-yl]methyl]phenol?
The InChIKey is GIZSYCIFXLTTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c1-12(14-5-7-15(19)8-6-14)11-20-18-21-17(22-24-18)10-13-3-2-4-16(23)9-13/h2-9,12,23H,10-11H2,1H3,(H,20,21,22).
What are the key properties of 3-[[5-[2-(4-fluorophenyl)propylamino]-1,2,4-thiadiazol-3-yl]methyl]phenol?
3-[[5-[2-(4-fluorophenyl)propylamino]-1,2,4-thiadiazol-3-yl]methyl]phenol has a molecular weight of 343.43 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[2-(4-fluorophenyl)propylamino]-1,2,4-thiadiazol-3-yl]methyl]phenol is sourced from PubChem (CID 71281577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).