N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide

C19H19N3O3S — CID 2047594

IUPACN-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3ccc(C)c(C)c3)s2)cc1OC
InChIInChI=1S/C19H19N3O3S/c1-11-5-6-13(9-12(11)2)17(23)20-19-22-21-18(26-19)14-7-8-15(24-3)16(10-14)25-4/h5-10H,1-4H3,(H,20,22,23)
InChIKeyOEDDYECHUHRZNK-UHFFFAOYSA-N
MW369.45 g/mol
LogP4.09
Rot. Bonds5

About N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide

N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide (PubChem CID 2047594) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide
PubChem CID2047594
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3ccc(C)c(C)c3)s2)cc1OC
InChIInChI=1S/C19H19N3O3S/c1-11-5-6-13(9-12(11)2)17(23)20-19-22-21-18(26-19)14-7-8-15(24-3)16(10-14)25-4/h5-10H,1-4H3,(H,20,22,23)
InChIKeyOEDDYECHUHRZNK-UHFFFAOYSA-N
XLogP4.09
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 16813790
N-[5-(3-fluoro-4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 73254179
N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
CID 1395648
N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2,2,2-trifluoroacetamide
CID 743395
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
CID 100560370
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 1398313
3-methoxy-N-[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-[(1S)-1-phenylethoxy]benzamide
CID 121407489
3,4-dimethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2109069
N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
CID 2345637
3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 811235
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-methylbenzamide
CID 17012143
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 1086871

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide?
The IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide (CID 2047594) is N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide is COc1ccc(-c2nnc(NC(=O)c3ccc(C)c(C)c3)s2)cc1OC.
What is the InChIKey of N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide?
The InChIKey is OEDDYECHUHRZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-11-5-6-13(9-12(11)2)17(23)20-19-22-21-18(26-19)14-7-8-15(24-3)16(10-14)25-4/h5-10H,1-4H3,(H,20,22,23).
What are the key properties of N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide?
N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide has a molecular weight of 369.45 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide is sourced from PubChem (CID 2047594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).