N-[5-(3,5-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide

C17H13F2N3OS — CID 23458640

IUPACN-[5-(3,5-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)Nc1nnc(-c2cc(F)cc(F)c2)s1
InChIInChI=1S/C17H13F2N3OS/c1-9-4-3-5-10(2)14(9)15(23)20-17-22-21-16(24-17)11-6-12(18)8-13(19)7-11/h3-8H,1-2H3,(H,20,22,23)
InChIKeyDBYYCHWFHISJKN-UHFFFAOYSA-N
MW345.37 g/mol
LogP4.35
Rot. Bonds3

About N-[5-(3,5-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide

N-[5-(3,5-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide (PubChem CID 23458640) has the molecular formula C17H13F2N3OS and a molecular weight of 345.37 g/mol. Its IUPAC name is N-[5-(3,5-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[5-(3,5-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide
PubChem CID23458640
Molecular FormulaC17H13F2N3OS
Molecular Weight345.37 g/mol
Exact Mass345.07
IUPAC NameN-[5-(3,5-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)Nc1nnc(-c2cc(F)cc(F)c2)s1
InChIInChI=1S/C17H13F2N3OS/c1-9-4-3-5-10(2)14(9)15(23)20-17-22-21-16(24-17)11-6-12(18)8-13(19)7-11/h3-8H,1-2H3,(H,20,22,23)
InChIKeyDBYYCHWFHISJKN-UHFFFAOYSA-N
XLogP4.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-(3,5-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide 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

2-chloro-6-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 23458586
4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 741034
2,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100644344
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 82176851
4-fluoro-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3656618
3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4191834
3,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 16813790
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 16813777
4-chloro-2-fluoro-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100536122
3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991309
N-(2-amino-4-fluorophenyl)-2,6-dimethylbenzamide
CID 107999853
N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
CID 1395648

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide?
The IUPAC name of N-[5-(3,5-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide (CID 23458640) is N-[5-(3,5-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide.
What is the SMILES notation for N-[5-(3,5-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide?
The canonical SMILES for N-[5-(3,5-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)Nc1nnc(-c2cc(F)cc(F)c2)s1.
What is the InChIKey of N-[5-(3,5-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide?
The InChIKey is DBYYCHWFHISJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3OS/c1-9-4-3-5-10(2)14(9)15(23)20-17-22-21-16(24-17)11-6-12(18)8-13(19)7-11/h3-8H,1-2H3,(H,20,22,23).
What are the key properties of N-[5-(3,5-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide?
N-[5-(3,5-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide has a molecular weight of 345.37 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide is sourced from PubChem (CID 23458640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).