3-[[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]methyl]oxolan-3-ol

C14H16FN3O2S — CID 133451757

IUPAC3-[[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]methyl]oxolan-3-ol
SMILESOC1(CNc2nnc(Cc3ccccc3F)s2)CCOC1
InChIInChI=1S/C14H16FN3O2S/c15-11-4-2-1-3-10(11)7-12-17-18-13(21-12)16-8-14(19)5-6-20-9-14/h1-4,19H,5-9H2,(H,16,18)
InChIKeyXMKHEBHALFVCQV-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.83
Rot. Bonds5

About 3-[[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]methyl]oxolan-3-ol

3-[[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]methyl]oxolan-3-ol (PubChem CID 133451757) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-[[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]methyl]oxolan-3-ol
PubChem CID133451757
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name3-[[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]methyl]oxolan-3-ol
SMILESOC1(CNc2nnc(Cc3ccccc3F)s2)CCOC1
InChIInChI=1S/C14H16FN3O2S/c15-11-4-2-1-3-10(11)7-12-17-18-13(21-12)16-8-14(19)5-6-20-9-14/h1-4,19H,5-9H2,(H,16,18)
InChIKeyXMKHEBHALFVCQV-UHFFFAOYSA-N
XLogP1.83
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]methyl]oxolan-3-ol with MolForge

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Related Compounds

[4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]phenyl]methanol
CID 133452645
3-[[(2-bromo-3-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 114143452
3-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100524
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 23819133
N-(2,2-dimethyloxan-4-yl)-5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 133451729
3-[(2,1-benzothiazol-3-ylamino)methyl]oxolan-3-ol
CID 103847671
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103849795
(3S)-3-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]butan-1-ol
CID 133451818
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119777307
3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 103848486
2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848108
(2R)-2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119319928

Frequently Asked Questions

What is the IUPAC name of 3-[[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]methyl]oxolan-3-ol (CID 133451757) is 3-[[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]methyl]oxolan-3-ol is OC1(CNc2nnc(Cc3ccccc3F)s2)CCOC1.
What is the InChIKey of 3-[[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]methyl]oxolan-3-ol?
The InChIKey is XMKHEBHALFVCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c15-11-4-2-1-3-10(11)7-12-17-18-13(21-12)16-8-14(19)5-6-20-9-14/h1-4,19H,5-9H2,(H,16,18).
What are the key properties of 3-[[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]methyl]oxolan-3-ol?
3-[[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]methyl]oxolan-3-ol has a molecular weight of 309.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 133451757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).