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

C18H18FN3OS — CID 133452645

IUPAC[4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]phenyl]methanol
SMILESOCc1ccc(CCNc2nnc(Cc3ccccc3F)s2)cc1
InChIInChI=1S/C18H18FN3OS/c19-16-4-2-1-3-15(16)11-17-21-22-18(24-17)20-10-9-13-5-7-14(12-23)8-6-13/h1-8,23H,9-12H2,(H,20,22)
InChIKeyKDTHBNJJUOVDHE-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.41
Rot. Bonds7

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

[4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]phenyl]methanol (PubChem CID 133452645) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is [4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]phenyl]methanol
PubChem CID133452645
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC Name[4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]phenyl]methanol
SMILESOCc1ccc(CCNc2nnc(Cc3ccccc3F)s2)cc1
InChIInChI=1S/C18H18FN3OS/c19-16-4-2-1-3-15(16)11-17-21-22-18(24-17)20-10-9-13-5-7-14(12-23)8-6-13/h1-8,23H,9-12H2,(H,20,22)
InChIKeyKDTHBNJJUOVDHE-UHFFFAOYSA-N
XLogP3.41
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]phenyl]methanol with MolForge

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Related Compounds

N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 23819133
(3S)-3-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]butan-1-ol
CID 133451818
3-[[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]methyl]oxolan-3-ol
CID 133451757
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119777307
1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111926390
(2R)-2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119319928
3-amino-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylbutanamide
CID 120500550
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 921255
5-phenyl-N-(2-phenylethyl)-1,3,4-thiadiazol-2-amine
CID 31535225
3-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-(2-hydroxyethyl)-1-propylurea
CID 111109536
3-bromo-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 23909333
2-fluoro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17319851

Frequently Asked Questions

What is the IUPAC name of [4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]phenyl]methanol?
The IUPAC name of [4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]phenyl]methanol (CID 133452645) is [4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]phenyl]methanol.
What is the SMILES notation for [4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]phenyl]methanol?
The canonical SMILES for [4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]phenyl]methanol is OCc1ccc(CCNc2nnc(Cc3ccccc3F)s2)cc1.
What is the InChIKey of [4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]phenyl]methanol?
The InChIKey is KDTHBNJJUOVDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c19-16-4-2-1-3-15(16)11-17-21-22-18(24-17)20-10-9-13-5-7-14(12-23)8-6-13/h1-8,23H,9-12H2,(H,20,22).
What are the key properties of [4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]phenyl]methanol?
[4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]phenyl]methanol has a molecular weight of 343.43 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]phenyl]methanol is sourced from PubChem (CID 133452645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).