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

C17H11F2N3O2S — CID 47799641

IUPAC2-benzoyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(C(F)F)s1)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H11F2N3O2S/c18-14(19)16-21-22-17(25-16)20-15(24)12-9-5-4-8-11(12)13(23)10-6-2-1-3-7-10/h1-9,14H,(H,20,22,24)
InChIKeyUZXHSYXRPGIUQQ-UHFFFAOYSA-N
MW359.36 g/mol
LogP3.96
Rot. Bonds5

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

2-benzoyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 47799641) has the molecular formula C17H11F2N3O2S and a molecular weight of 359.36 g/mol. Its IUPAC name is 2-benzoyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-benzoyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID47799641
Molecular FormulaC17H11F2N3O2S
Molecular Weight359.36 g/mol
Exact Mass359.05
IUPAC Name2-benzoyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(C(F)F)s1)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H11F2N3O2S/c18-14(19)16-21-22-17(25-16)20-15(24)12-9-5-4-8-11(12)13(23)10-6-2-1-3-7-10/h1-9,14H,(H,20,22,24)
InChIKeyUZXHSYXRPGIUQQ-UHFFFAOYSA-N
XLogP3.96
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-iodo-3-methylbenzamide
CID 47399402
2-benzoyl-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4080809
2-benzyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 86890397
2-[(2-chlorophenyl)methoxy]-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 47738998
2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1087655
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
CID 82176376
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
CID 167911938
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 47739579
N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 71946235
2-propan-2-ylsulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 17224658
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide
CID 82176351
3-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119745212

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2-benzoyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 47799641) is 2-benzoyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-benzoyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-benzoyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(C(F)F)s1)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is UZXHSYXRPGIUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O2S/c18-14(19)16-21-22-17(25-16)20-15(24)12-9-5-4-8-11(12)13(23)10-6-2-1-3-7-10/h1-9,14H,(H,20,22,24).
What are the key properties of 2-benzoyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
2-benzoyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 359.36 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 47799641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).