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

C12H13N3O2S — CID 720004

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
SMILESCCc1nnc(NC(=O)c2cccc(OC)c2)s1
InChIInChI=1S/C12H13N3O2S/c1-3-10-14-15-12(18-10)13-11(16)8-5-4-6-9(7-8)17-2/h4-7H,3H2,1-2H3,(H,13,15,16)
InChIKeyUZGXRDAFOTZPAT-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.36
Rot. Bonds4

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide (PubChem CID 720004) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
PubChem CID720004
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
SMILESCCc1nnc(NC(=O)c2cccc(OC)c2)s1
InChIInChI=1S/C12H13N3O2S/c1-3-10-14-15-12(18-10)13-11(16)8-5-4-6-9(7-8)17-2/h4-7H,3H2,1-2H3,(H,13,15,16)
InChIKeyUZGXRDAFOTZPAT-UHFFFAOYSA-N
XLogP2.36
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 2162155
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 3148009
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
N-[5-(4-Fluoro-phenyl)-[1,3,4]thiadiazol-2-yl]-2-methoxy-benzamide
CID 741043

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide (CID 720004) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide is CCc1nnc(NC(=O)c2cccc(OC)c2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide?
The InChIKey is UZGXRDAFOTZPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-3-10-14-15-12(18-10)13-11(16)8-5-4-6-9(7-8)17-2/h4-7H,3H2,1-2H3,(H,13,15,16).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide has a molecular weight of 263.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide is sourced from PubChem (CID 720004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).