5-chloro-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide

C11H8ClF2N3O2S — CID 52750762

IUPAC5-chloro-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nnc(C(F)F)s1
InChIInChI=1S/C11H8ClF2N3O2S/c1-19-7-3-2-5(12)4-6(7)9(18)15-11-17-16-10(20-11)8(13)14/h2-4,8H,1H3,(H,15,17,18)
InChIKeyFGFHIVIDUMGVPL-UHFFFAOYSA-N
MW319.72 g/mol
LogP3.39
Rot. Bonds4

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

5-chloro-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide (PubChem CID 52750762) has the molecular formula C11H8ClF2N3O2S and a molecular weight of 319.72 g/mol. Its IUPAC name is 5-chloro-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
PubChem CID52750762
Molecular FormulaC11H8ClF2N3O2S
Molecular Weight319.72 g/mol
Exact Mass319.00
IUPAC Name5-chloro-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nnc(C(F)F)s1
InChIInChI=1S/C11H8ClF2N3O2S/c1-19-7-3-2-5(12)4-6(7)9(18)15-11-17-16-10(20-11)8(13)14/h2-4,8H,1H3,(H,15,17,18)
InChIKeyFGFHIVIDUMGVPL-UHFFFAOYSA-N
XLogP3.39
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.72
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide (CID 52750762) is 5-chloro-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1nnc(C(F)F)s1.
What is the InChIKey of 5-chloro-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
The InChIKey is FGFHIVIDUMGVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2N3O2S/c1-19-7-3-2-5(12)4-6(7)9(18)15-11-17-16-10(20-11)8(13)14/h2-4,8H,1H3,(H,15,17,18).
What are the key properties of 5-chloro-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
5-chloro-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide has a molecular weight of 319.72 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 52750762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).