3-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]methoxy]-2,6-difluorobenzamide

C16H10ClF2N3O2S — CID 59549533

IUPAC3-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]methoxy]-2,6-difluorobenzamide
SMILESNC(=O)c1c(F)ccc(OCc2nsc(-c3ccc(Cl)cc3)n2)c1F
InChIInChI=1S/C16H10ClF2N3O2S/c17-9-3-1-8(2-4-9)16-21-12(22-25-16)7-24-11-6-5-10(18)13(14(11)19)15(20)23/h1-6H,7H2,(H2,20,23)
InChIKeyGQEXETIMEZIWPN-UHFFFAOYSA-N
MW381.79 g/mol
LogP3.81
Rot. Bonds5

About 3-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]methoxy]-2,6-difluorobenzamide

3-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]methoxy]-2,6-difluorobenzamide (PubChem CID 59549533) has the molecular formula C16H10ClF2N3O2S and a molecular weight of 381.79 g/mol. Its IUPAC name is 3-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]methoxy]-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]methoxy]-2,6-difluorobenzamide
PubChem CID59549533
Molecular FormulaC16H10ClF2N3O2S
Molecular Weight381.79 g/mol
Exact Mass381.02
IUPAC Name3-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]methoxy]-2,6-difluorobenzamide
SMILESNC(=O)c1c(F)ccc(OCc2nsc(-c3ccc(Cl)cc3)n2)c1F
InChIInChI=1S/C16H10ClF2N3O2S/c17-9-3-1-8(2-4-9)16-21-12(22-25-16)7-24-11-6-5-10(18)13(14(11)19)15(20)23/h1-6H,7H2,(H2,20,23)
InChIKeyGQEXETIMEZIWPN-UHFFFAOYSA-N
XLogP3.81
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.79
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]methoxy]-2,6-difluorobenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]methoxy]-2,6-difluorobenzamide?
The IUPAC name of 3-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]methoxy]-2,6-difluorobenzamide (CID 59549533) is 3-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]methoxy]-2,6-difluorobenzamide.
What is the SMILES notation for 3-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]methoxy]-2,6-difluorobenzamide?
The canonical SMILES for 3-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]methoxy]-2,6-difluorobenzamide is NC(=O)c1c(F)ccc(OCc2nsc(-c3ccc(Cl)cc3)n2)c1F.
What is the InChIKey of 3-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]methoxy]-2,6-difluorobenzamide?
The InChIKey is GQEXETIMEZIWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2N3O2S/c17-9-3-1-8(2-4-9)16-21-12(22-25-16)7-24-11-6-5-10(18)13(14(11)19)15(20)23/h1-6H,7H2,(H2,20,23).
What are the key properties of 3-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]methoxy]-2,6-difluorobenzamide?
3-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]methoxy]-2,6-difluorobenzamide has a molecular weight of 381.79 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]methoxy]-2,6-difluorobenzamide is sourced from PubChem (CID 59549533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).