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

C13H15N3O3S — CID 2201249

IUPACN-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
SMILESCCOCc1nnc(NC(=O)c2ccc(OC)cc2)s1
InChIInChI=1S/C13H15N3O3S/c1-3-19-8-11-15-16-13(20-11)14-12(17)9-4-6-10(18-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,14,16,17)
InChIKeyIRWYZTWOIJUUMP-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.34
Rot. Bonds6

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

N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide (PubChem CID 2201249) 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]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
PubChem CID2201249
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
SMILESCCOCc1nnc(NC(=O)c2ccc(OC)cc2)s1
InChIInChI=1S/C13H15N3O3S/c1-3-19-8-11-15-16-13(20-11)14-12(17)9-4-6-10(18-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,14,16,17)
InChIKeyIRWYZTWOIJUUMP-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
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 5930483
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
4-methoxy-N-(2-propyltetrazol-5-yl)benzamide
CID 900454
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide
CID 1409689

Frequently Asked Questions

What is the IUPAC name of N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide (CID 2201249) is N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide is CCOCc1nnc(NC(=O)c2ccc(OC)cc2)s1.
What is the InChIKey of N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide?
The InChIKey is IRWYZTWOIJUUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-3-19-8-11-15-16-13(20-11)14-12(17)9-4-6-10(18-2)7-5-9/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]-4-methoxybenzamide?
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-4-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]-4-methoxybenzamide is sourced from PubChem (CID 2201249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).