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

C10H7F2N3O2S — CID 29370815

IUPAC2-(difluoromethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccccc1OC(F)F
InChIInChI=1S/C10H7F2N3O2S/c11-9(12)17-7-4-2-1-3-6(7)8(16)14-10-15-13-5-18-10/h1-5,9H,(H,14,15,16)
InChIKeyFEMAFHYWCYIJKX-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.39
Rot. Bonds4

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

2-(difluoromethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 29370815) has the molecular formula C10H7F2N3O2S and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID29370815
Molecular FormulaC10H7F2N3O2S
Molecular Weight271.25 g/mol
Exact Mass271.02
IUPAC Name2-(difluoromethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccccc1OC(F)F
InChIInChI=1S/C10H7F2N3O2S/c11-9(12)17-7-4-2-1-3-6(7)8(16)14-10-15-13-5-18-10/h1-5,9H,(H,14,15,16)
InChIKeyFEMAFHYWCYIJKX-UHFFFAOYSA-N
XLogP2.39
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 29370815) is 2-(difluoromethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nncs1)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is FEMAFHYWCYIJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O2S/c11-9(12)17-7-4-2-1-3-6(7)8(16)14-10-15-13-5-18-10/h1-5,9H,(H,14,15,16).
What are the key properties of 2-(difluoromethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide?
2-(difluoromethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 271.25 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 29370815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).