N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide

C19H12F2N4O3S — CID 47739579

IUPACN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
SMILESO=C(Nc1nnc(C(F)F)s1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H12F2N4O3S/c20-14(21)16-23-24-19(29-16)22-15(26)11-7-5-10(6-8-11)9-25-17(27)12-3-1-2-4-13(12)18(25)28/h1-8,14H,9H2,(H,22,24,26)
InChIKeyJBDBIXGUYLIGPQ-UHFFFAOYSA-N
MW414.39 g/mol
LogP3.52
Rot. Bonds5

About N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide

N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide (PubChem CID 47739579) has the molecular formula C19H12F2N4O3S and a molecular weight of 414.39 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
PubChem CID47739579
Molecular FormulaC19H12F2N4O3S
Molecular Weight414.39 g/mol
Exact Mass414.06
IUPAC NameN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
SMILESO=C(Nc1nnc(C(F)F)s1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H12F2N4O3S/c20-14(21)16-23-24-19(29-16)22-15(26)11-7-5-10(6-8-11)9-25-17(27)12-3-1-2-4-13(12)18(25)28/h1-8,14H,9H2,(H,22,24,26)
InChIKeyJBDBIXGUYLIGPQ-UHFFFAOYSA-N
XLogP3.52
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide 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-chloro-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 108756210
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361609
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide
CID 2995396
N-(2,6-diethylphenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 31820336
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991649
3-chloro-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 108756218
N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-3-fluorobenzamide
CID 108732808
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 33327319
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 30043833
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide
CID 55985027
N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108756301
4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 19225847

Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
The IUPAC name of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide (CID 47739579) is N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide.
What is the SMILES notation for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
The canonical SMILES for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide is O=C(Nc1nnc(C(F)F)s1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
The InChIKey is JBDBIXGUYLIGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4O3S/c20-14(21)16-23-24-19(29-16)22-15(26)11-7-5-10(6-8-11)9-25-17(27)12-3-1-2-4-13(12)18(25)28/h1-8,14H,9H2,(H,22,24,26).
What are the key properties of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide has a molecular weight of 414.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide is sourced from PubChem (CID 47739579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).