2-chloro-5-[(2-fluorophenyl)methoxymethyl]-1,3,4-thiadiazole

C10H8ClFN2OS — CID 80606532

IUPAC2-chloro-5-[(2-fluorophenyl)methoxymethyl]-1,3,4-thiadiazole
SMILESFc1ccccc1COCc1nnc(Cl)s1
InChIInChI=1S/C10H8ClFN2OS/c11-10-14-13-9(16-10)6-15-5-7-3-1-2-4-8(7)12/h1-4H,5-6H2
InChIKeyVRAKUAFSPBLCNQ-UHFFFAOYSA-N
MW258.70 g/mol
LogP3.05
Rot. Bonds4

About 2-chloro-5-[(2-fluorophenyl)methoxymethyl]-1,3,4-thiadiazole

2-chloro-5-[(2-fluorophenyl)methoxymethyl]-1,3,4-thiadiazole (PubChem CID 80606532) has the molecular formula C10H8ClFN2OS and a molecular weight of 258.70 g/mol. Its IUPAC name is 2-chloro-5-[(2-fluorophenyl)methoxymethyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-[(2-fluorophenyl)methoxymethyl]-1,3,4-thiadiazole
PubChem CID80606532
Molecular FormulaC10H8ClFN2OS
Molecular Weight258.70 g/mol
Exact Mass258.00
IUPAC Name2-chloro-5-[(2-fluorophenyl)methoxymethyl]-1,3,4-thiadiazole
SMILESFc1ccccc1COCc1nnc(Cl)s1
InChIInChI=1S/C10H8ClFN2OS/c11-10-14-13-9(16-10)6-15-5-7-3-1-2-4-8(7)12/h1-4H,5-6H2
InChIKeyVRAKUAFSPBLCNQ-UHFFFAOYSA-N
XLogP3.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-[(2-fluorophenyl)methoxymethyl]-1,3,4-thiadiazole 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

1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
2-chloro-5-[(2,6-difluorophenoxy)methyl]-1,3,4-thiadiazole
CID 81269582
2-bromo-5-[(2-fluorophenyl)methoxymethyl]thiophene
CID 63936755
2-chloro-5-[(3-chlorophenyl)methoxymethyl]-1,3,4-thiadiazole
CID 80607272
2-chloro-5-[(2-methoxyphenoxy)methyl]-1,3,4-thiadiazole
CID 80609217
2-[(2-fluorophenyl)methoxymethyl]furan
CID 70570025
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene;N-propan-2-ylidenehydroxylamine
CID 174820593
1-(4-chlorophenyl)-2-[(2-fluorophenyl)methoxy]ethanone
CID 63935941
2-chloro-3-[(2-fluorophenyl)methoxy]pyrazine
CID 63936130
3-[(2-fluorophenyl)methoxymethyl]pyridin-2-amine
CID 63935753
[4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine
CID 63934665
3-chloro-4-[(2-fluorophenyl)methoxymethyl]benzenecarboximidamide
CID 102668187

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-fluorophenyl)methoxymethyl]-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-[(2-fluorophenyl)methoxymethyl]-1,3,4-thiadiazole (CID 80606532) is 2-chloro-5-[(2-fluorophenyl)methoxymethyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-[(2-fluorophenyl)methoxymethyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-[(2-fluorophenyl)methoxymethyl]-1,3,4-thiadiazole is Fc1ccccc1COCc1nnc(Cl)s1.
What is the InChIKey of 2-chloro-5-[(2-fluorophenyl)methoxymethyl]-1,3,4-thiadiazole?
The InChIKey is VRAKUAFSPBLCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2OS/c11-10-14-13-9(16-10)6-15-5-7-3-1-2-4-8(7)12/h1-4H,5-6H2.
What are the key properties of 2-chloro-5-[(2-fluorophenyl)methoxymethyl]-1,3,4-thiadiazole?
2-chloro-5-[(2-fluorophenyl)methoxymethyl]-1,3,4-thiadiazole has a molecular weight of 258.70 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-fluorophenyl)methoxymethyl]-1,3,4-thiadiazole is sourced from PubChem (CID 80606532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).