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

C14H17N3O3S — CID 884599

IUPAC3,4-diethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2nnc(C)s2)cc1OCC
InChIInChI=1S/C14H17N3O3S/c1-4-19-11-7-6-10(8-12(11)20-5-2)13(18)15-14-17-16-9(3)21-14/h6-8H,4-5H2,1-3H3,(H,15,17,18)
InChIKeyUQTHJJJRFHRVDR-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.90
Rot. Bonds6

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

3,4-diethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 884599) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 3,4-diethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID884599
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name3,4-diethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2nnc(C)s2)cc1OCC
InChIInChI=1S/C14H17N3O3S/c1-4-19-11-7-6-10(8-12(11)20-5-2)13(18)15-14-17-16-9(3)21-14/h6-8H,4-5H2,1-3H3,(H,15,17,18)
InChIKeyUQTHJJJRFHRVDR-UHFFFAOYSA-N
XLogP2.90
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3,4-diethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 884599) is 3,4-diethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3,4-diethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3,4-diethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is CCOc1ccc(C(=O)Nc2nnc(C)s2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is UQTHJJJRFHRVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-4-19-11-7-6-10(8-12(11)20-5-2)13(18)15-14-17-16-9(3)21-14/h6-8H,4-5H2,1-3H3,(H,15,17,18).
What are the key properties of 3,4-diethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
3,4-diethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 307.38 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 884599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).