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

C13H15N3O3S — CID 3158217

IUPACN-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide
SMILESCCOCc1nnc(NC(=O)c2cccc(OC)c2)s1
InChIInChI=1S/C13H15N3O3S/c1-3-19-8-11-15-16-13(20-11)14-12(17)9-5-4-6-10(7-9)18-2/h4-7H,3,8H2,1-2H3,(H,14,16,17)
InChIKeyAIIIAZWGNNOVGS-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.34
Rot. Bonds6

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

N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide (PubChem CID 3158217) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide
PubChem CID3158217
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide
SMILESCCOCc1nnc(NC(=O)c2cccc(OC)c2)s1
InChIInChI=1S/C13H15N3O3S/c1-3-19-8-11-15-16-13(20-11)14-12(17)9-5-4-6-10(7-9)18-2/h4-7H,3,8H2,1-2H3,(H,14,16,17)
InChIKeyAIIIAZWGNNOVGS-UHFFFAOYSA-N
XLogP2.34
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 747323
N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 777611
4-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 794237
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-3,5-dimethoxybenzamide
CID 1825741
4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 644396
N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-3-methoxy-benzamide
CID 648237
ethyl [(5E)-5-{[(2-methoxyphenyl)carbonyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetate
CID 665316
3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 665956
2-fluoro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 697520
3-ethoxy-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 893318
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
CID 720004
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 745396

Frequently Asked Questions

What is the IUPAC name of N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide?
The IUPAC name of N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide (CID 3158217) is N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide?
The canonical SMILES for N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide is CCOCc1nnc(NC(=O)c2cccc(OC)c2)s1.
What is the InChIKey of N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide?
The InChIKey is AIIIAZWGNNOVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-3-19-8-11-15-16-13(20-11)14-12(17)9-5-4-6-10(7-9)18-2/h4-7H,3,8H2,1-2H3,(H,14,16,17).
What are the key properties of N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide?
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide has a molecular weight of 293.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 3158217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).