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

C12H13N3O2S — CID 745396

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
SMILESCCc1nnc(NC(=O)c2ccc(OC)cc2)s1
InChIInChI=1S/C12H13N3O2S/c1-3-10-14-15-12(18-10)13-11(16)8-4-6-9(17-2)7-5-8/h4-7H,3H2,1-2H3,(H,13,15,16)
InChIKeyRGGYCWLBDAMENO-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.36
Rot. Bonds4

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide (PubChem CID 745396) 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)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
PubChem CID745396
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
SMILESCCc1nnc(NC(=O)c2ccc(OC)cc2)s1
InChIInChI=1S/C12H13N3O2S/c1-3-10-14-15-12(18-10)13-11(16)8-4-6-9(17-2)7-5-8/h4-7H,3H2,1-2H3,(H,13,15,16)
InChIKeyRGGYCWLBDAMENO-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 1405517
N-{5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}pentanamide
CID 5925639
4-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 794237
2,4-Dimethoxy-N-(5-phenethyl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 1094111
N-[(4-methoxyphenyl)methyl]-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide
CID 1400473
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)propanamide
CID 2078271
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
N-[5-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 24762116
4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 644396

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide (CID 745396) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide is CCc1nnc(NC(=O)c2ccc(OC)cc2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide?
The InChIKey is RGGYCWLBDAMENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-3-10-14-15-12(18-10)13-11(16)8-4-6-9(17-2)7-5-8/h4-7H,3H2,1-2H3,(H,13,15,16).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-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)-4-methoxybenzamide is sourced from PubChem (CID 745396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).