3-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide

C13H15N3O2S — CID 648237

IUPAC3-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nnc(C(C)C)s2)c1
InChIInChI=1S/C13H15N3O2S/c1-8(2)12-15-16-13(19-12)14-11(17)9-5-4-6-10(7-9)18-3/h4-8H,1-3H3,(H,14,16,17)
InChIKeyUCTWNTJVBMCDCG-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.92
Rot. Bonds4

About 3-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide

3-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 648237) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID648237
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name3-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nnc(C(C)C)s2)c1
InChIInChI=1S/C13H15N3O2S/c1-8(2)12-15-16-13(19-12)14-11(17)9-5-4-6-10(7-9)18-3/h4-8H,1-3H3,(H,14,16,17)
InChIKeyUCTWNTJVBMCDCG-UHFFFAOYSA-N
XLogP2.92
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide 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
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
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 3-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 648237) is 3-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide is COc1cccc(C(=O)Nc2nnc(C(C)C)s2)c1.
What is the InChIKey of 3-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is UCTWNTJVBMCDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8(2)12-15-16-13(19-12)14-11(17)9-5-4-6-10(7-9)18-3/h4-8H,1-3H3,(H,14,16,17).
What are the key properties of 3-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
3-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 277.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 648237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).