3-[5-[(3-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzene-1,2-diol

C15H10FN3O2S — CID 175939862

IUPAC3-[5-[(3-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzene-1,2-diol
SMILESOc1cccc(-c2nnc(N=Cc3cccc(F)c3)s2)c1O
InChIInChI=1S/C15H10FN3O2S/c16-10-4-1-3-9(7-10)8-17-15-19-18-14(22-15)11-5-2-6-12(20)13(11)21/h1-8,20-21H
InChIKeyMDEDPVDFGFQDIC-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.51
Rot. Bonds3

About 3-[5-[(3-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzene-1,2-diol

3-[5-[(3-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzene-1,2-diol (PubChem CID 175939862) has the molecular formula C15H10FN3O2S and a molecular weight of 315.33 g/mol. Its IUPAC name is 3-[5-[(3-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[5-[(3-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzene-1,2-diol
PubChem CID175939862
Molecular FormulaC15H10FN3O2S
Molecular Weight315.33 g/mol
Exact Mass315.05
IUPAC Name3-[5-[(3-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzene-1,2-diol
SMILESOc1cccc(-c2nnc(N=Cc3cccc(F)c3)s2)c1O
InChIInChI=1S/C15H10FN3O2S/c16-10-4-1-3-9(7-10)8-17-15-19-18-14(22-15)11-5-2-6-12(20)13(11)21/h1-8,20-21H
InChIKeyMDEDPVDFGFQDIC-UHFFFAOYSA-N
XLogP3.51
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[5-[(3-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-[(3-chlorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzene-1,2-diol
CID 169094409
2-bromo-4-[(E)-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]iminomethyl]-6-methoxyphenol
CID 135503909
2-[5-[(E)-(2-chlorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]phenol
CID 135439530
4-[5-[(4-hydroxyphenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzene-1,2-diol
CID 169094408
5-[(E)-(3-nitrophenyl)methylideneamino]-1,3,4-thiadiazol-2-amine
CID 117059660
N-(2,4-dibromophenyl)-1-(3-fluorophenyl)methanimine
CID 23329288
3-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzene-1,2-diol
CID 136991425
N-[(3-fluorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide
CID 175012801
5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
CID 44563802
5-[2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
CID 75071270
3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol
CID 136928271
2-[[3-(3-fluorophenyl)phenyl]methylideneamino]guanidine
CID 168590584

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzene-1,2-diol?
The IUPAC name of 3-[5-[(3-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzene-1,2-diol (CID 175939862) is 3-[5-[(3-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzene-1,2-diol.
What is the SMILES notation for 3-[5-[(3-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzene-1,2-diol?
The canonical SMILES for 3-[5-[(3-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzene-1,2-diol is Oc1cccc(-c2nnc(N=Cc3cccc(F)c3)s2)c1O.
What is the InChIKey of 3-[5-[(3-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzene-1,2-diol?
The InChIKey is MDEDPVDFGFQDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O2S/c16-10-4-1-3-9(7-10)8-17-15-19-18-14(22-15)11-5-2-6-12(20)13(11)21/h1-8,20-21H.
What are the key properties of 3-[5-[(3-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzene-1,2-diol?
3-[5-[(3-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzene-1,2-diol has a molecular weight of 315.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzene-1,2-diol is sourced from PubChem (CID 175939862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).