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

C13H15N3O3S — CID 869015

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide
SMILESCCc1nnc(NC(=O)c2ccc(OC)cc2OC)s1
InChIInChI=1S/C13H15N3O3S/c1-4-11-15-16-13(20-11)14-12(17)9-6-5-8(18-2)7-10(9)19-3/h5-7H,4H2,1-3H3,(H,14,16,17)
InChIKeyGERFCFCAFVHXCD-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.37
Rot. Bonds5

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide (PubChem CID 869015) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide
PubChem CID869015
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide
SMILESCCc1nnc(NC(=O)c2ccc(OC)cc2OC)s1
InChIInChI=1S/C13H15N3O3S/c1-4-11-15-16-13(20-11)14-12(17)9-6-5-8(18-2)7-10(9)19-3/h5-7H,4H2,1-3H3,(H,14,16,17)
InChIKeyGERFCFCAFVHXCD-UHFFFAOYSA-N
XLogP2.37
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide (CID 869015) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide is CCc1nnc(NC(=O)c2ccc(OC)cc2OC)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide?
The InChIKey is GERFCFCAFVHXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-4-11-15-16-13(20-11)14-12(17)9-6-5-8(18-2)7-10(9)19-3/h5-7H,4H2,1-3H3,(H,14,16,17).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide has a molecular weight of 293.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide is sourced from PubChem (CID 869015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).