4-(difluoromethoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide

C13H13F2N3O2S — CID 9109400

IUPAC4-(difluoromethoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCc1nnc(NC(=O)c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C13H13F2N3O2S/c1-2-3-10-17-18-13(21-10)16-11(19)8-4-6-9(7-5-8)20-12(14)15/h4-7,12H,2-3H2,1H3,(H,16,18,19)
InChIKeyXWBNOWTUJZXGDF-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.34
Rot. Bonds6

About 4-(difluoromethoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide

4-(difluoromethoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 9109400) has the molecular formula C13H13F2N3O2S and a molecular weight of 313.33 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID9109400
Molecular FormulaC13H13F2N3O2S
Molecular Weight313.33 g/mol
Exact Mass313.07
IUPAC Name4-(difluoromethoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCc1nnc(NC(=O)c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C13H13F2N3O2S/c1-2-3-10-17-18-13(21-10)16-11(19)8-4-6-9(7-5-8)20-12(14)15/h4-7,12H,2-3H2,1H3,(H,16,18,19)
InChIKeyXWBNOWTUJZXGDF-UHFFFAOYSA-N
XLogP3.34
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(difluoromethoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)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-(difluoromethoxy)-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 134704246
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355
2-[4-(difluoromethoxy)phenyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 34110542
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzamide
CID 26197220
4-methoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099855
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(difluoromethylsulfanyl)benzamide
CID 24648203
4-methoxy-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3732616
3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 811235
4-ethoxy-N-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide
CID 34110789

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (CID 9109400) is 4-(difluoromethoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is CCCc1nnc(NC(=O)c2ccc(OC(F)F)cc2)s1.
What is the InChIKey of 4-(difluoromethoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is XWBNOWTUJZXGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2S/c1-2-3-10-17-18-13(21-10)16-11(19)8-4-6-9(7-5-8)20-12(14)15/h4-7,12H,2-3H2,1H3,(H,16,18,19).
What are the key properties of 4-(difluoromethoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
4-(difluoromethoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 313.33 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 9109400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).