[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol

C14H16FN3O2S — CID 75521241

IUPAC[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol
SMILESOCC1CN(c2nnc(Cc3ccc(F)cc3)s2)CCO1
InChIInChI=1S/C14H16FN3O2S/c15-11-3-1-10(2-4-11)7-13-16-17-14(21-13)18-5-6-20-12(8-18)9-19/h1-4,12,19H,5-9H2
InChIKeyFHVCJGSPGXKKTN-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.47
Rot. Bonds4

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

[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol (PubChem CID 75521241) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is [4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol
PubChem CID75521241
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol
SMILESOCC1CN(c2nnc(Cc3ccc(F)cc3)s2)CCO1
InChIInChI=1S/C14H16FN3O2S/c15-11-3-1-10(2-4-11)7-13-16-17-14(21-13)18-5-6-20-12(8-18)9-19/h1-4,12,19H,5-9H2
InChIKeyFHVCJGSPGXKKTN-UHFFFAOYSA-N
XLogP1.47
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol?
The IUPAC name of [4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol (CID 75521241) is [4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol is OCC1CN(c2nnc(Cc3ccc(F)cc3)s2)CCO1.
What is the InChIKey of [4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol?
The InChIKey is FHVCJGSPGXKKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c15-11-3-1-10(2-4-11)7-13-16-17-14(21-13)18-5-6-20-12(8-18)9-19/h1-4,12,19H,5-9H2.
What are the key properties of [4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol?
[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol has a molecular weight of 309.37 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 75521241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).