3-(difluoromethoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide

C14H9F2N3O3S — CID 17418656

IUPAC3-(difluoromethoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccco2)s1)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H9F2N3O3S/c15-13(16)22-9-4-1-3-8(7-9)11(20)17-14-19-18-12(23-14)10-5-2-6-21-10/h1-7,13H,(H,17,19,20)
InChIKeyXATKFXARLQZFTG-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.65
Rot. Bonds5

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

3-(difluoromethoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 17418656) has the molecular formula C14H9F2N3O3S and a molecular weight of 337.31 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID17418656
Molecular FormulaC14H9F2N3O3S
Molecular Weight337.31 g/mol
Exact Mass337.03
IUPAC Name3-(difluoromethoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccco2)s1)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H9F2N3O3S/c15-13(16)22-9-4-1-3-8(7-9)11(20)17-14-19-18-12(23-14)10-5-2-6-21-10/h1-7,13H,(H,17,19,20)
InChIKeyXATKFXARLQZFTG-UHFFFAOYSA-N
XLogP3.65
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
CID 1418166
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide
CID 810799
[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]thiourea
CID 71374888
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethoxy)benzamide
CID 146494133
1-(3-chlorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 741055
1-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 167881159
N-(4-acetamidophenyl)-3-(difluoromethoxy)benzamide
CID 2583008
3-(difluoromethoxy)-N-(6-fluoro-2-pyridinyl)benzamide
CID 104820521
2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide;hydrochloride
CID 120984842
2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide
CID 120984843
N-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 23144318
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide (CID 17418656) is 3-(difluoromethoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2ccco2)s1)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is XATKFXARLQZFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O3S/c15-13(16)22-9-4-1-3-8(7-9)11(20)17-14-19-18-12(23-14)10-5-2-6-21-10/h1-7,13H,(H,17,19,20).
What are the key properties of 3-(difluoromethoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
3-(difluoromethoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 337.31 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 17418656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).