[2-[2-[(4-fluorophenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol

C18H15FN4OS — CID 67220796

IUPAC[2-[2-[(4-fluorophenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol
SMILESOCc1ccccc1-c1cn2nc(NCc3ccc(F)cc3)sc2n1
InChIInChI=1S/C18H15FN4OS/c19-14-7-5-12(6-8-14)9-20-17-22-23-10-16(21-18(23)25-17)15-4-2-1-3-13(15)11-24/h1-8,10,24H,9,11H2,(H,20,22)
InChIKeySWRJOOAAFWVZGT-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.70
Rot. Bonds5

About [2-[2-[(4-fluorophenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol

[2-[2-[(4-fluorophenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol (PubChem CID 67220796) has the molecular formula C18H15FN4OS and a molecular weight of 354.41 g/mol. Its IUPAC name is [2-[2-[(4-fluorophenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[2-[(4-fluorophenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol
PubChem CID67220796
Molecular FormulaC18H15FN4OS
Molecular Weight354.41 g/mol
Exact Mass354.10
IUPAC Name[2-[2-[(4-fluorophenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol
SMILESOCc1ccccc1-c1cn2nc(NCc3ccc(F)cc3)sc2n1
InChIInChI=1S/C18H15FN4OS/c19-14-7-5-12(6-8-14)9-20-17-22-23-10-16(21-18(23)25-17)15-4-2-1-3-13(15)11-24/h1-8,10,24H,9,11H2,(H,20,22)
InChIKeySWRJOOAAFWVZGT-UHFFFAOYSA-N
XLogP3.70
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[2-[(4-fluorophenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol?
The IUPAC name of [2-[2-[(4-fluorophenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol (CID 67220796) is [2-[2-[(4-fluorophenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol.
What is the SMILES notation for [2-[2-[(4-fluorophenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol?
The canonical SMILES for [2-[2-[(4-fluorophenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol is OCc1ccccc1-c1cn2nc(NCc3ccc(F)cc3)sc2n1.
What is the InChIKey of [2-[2-[(4-fluorophenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol?
The InChIKey is SWRJOOAAFWVZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4OS/c19-14-7-5-12(6-8-14)9-20-17-22-23-10-16(21-18(23)25-17)15-4-2-1-3-13(15)11-24/h1-8,10,24H,9,11H2,(H,20,22).
What are the key properties of [2-[2-[(4-fluorophenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol?
[2-[2-[(4-fluorophenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol has a molecular weight of 354.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(4-fluorophenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol is sourced from PubChem (CID 67220796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).