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

C12H13N3O4S — CID 2787311

IUPAC3,4,5-trimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nncs2)cc(OC)c1OC
InChIInChI=1S/C12H13N3O4S/c1-17-8-4-7(5-9(18-2)10(8)19-3)11(16)14-12-15-13-6-20-12/h4-6H,1-3H3,(H,14,15,16)
InChIKeyHQQUZFIPJBWCSC-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.82
Rot. Bonds5

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

3,4,5-trimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 2787311) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID2787311
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name3,4,5-trimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nncs2)cc(OC)c1OC
InChIInChI=1S/C12H13N3O4S/c1-17-8-4-7(5-9(18-2)10(8)19-3)11(16)14-12-15-13-6-20-12/h4-6H,1-3H3,(H,14,15,16)
InChIKeyHQQUZFIPJBWCSC-UHFFFAOYSA-N
XLogP1.82
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 2787311) is 3,4,5-trimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide is COc1cc(C(=O)Nc2nncs2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is HQQUZFIPJBWCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-17-8-4-7(5-9(18-2)10(8)19-3)11(16)14-12-15-13-6-20-12/h4-6H,1-3H3,(H,14,15,16).
What are the key properties of 3,4,5-trimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
3,4,5-trimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 295.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 2787311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).