N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide

C14H17N3O4S — CID 749914

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide
SMILESCCc1nnc(NC(=O)c2cc(OC)c(OC)c(OC)c2)s1
InChIInChI=1S/C14H17N3O4S/c1-5-11-16-17-14(22-11)15-13(18)8-6-9(19-2)12(21-4)10(7-8)20-3/h6-7H,5H2,1-4H3,(H,15,17,18)
InChIKeyJELBCGFCYKUCMO-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.38
Rot. Bonds6

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide (PubChem CID 749914) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide
PubChem CID749914
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide
SMILESCCc1nnc(NC(=O)c2cc(OC)c(OC)c(OC)c2)s1
InChIInChI=1S/C14H17N3O4S/c1-5-11-16-17-14(22-11)15-13(18)8-6-9(19-2)12(21-4)10(7-8)20-3/h6-7H,5H2,1-4H3,(H,15,17,18)
InChIKeyJELBCGFCYKUCMO-UHFFFAOYSA-N
XLogP2.38
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide (CID 749914) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide is CCc1nnc(NC(=O)c2cc(OC)c(OC)c(OC)c2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide?
The InChIKey is JELBCGFCYKUCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-5-11-16-17-14(22-11)15-13(18)8-6-9(19-2)12(21-4)10(7-8)20-3/h6-7H,5H2,1-4H3,(H,15,17,18).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide has a molecular weight of 323.37 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 749914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).