5-N-[(2,5-dimethoxyphenyl)methyl]-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide

C19H18N4O4S — CID 46353994

IUPAC5-N-[(2,5-dimethoxyphenyl)methyl]-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2nnc(C(=O)Nc3ccccc3)s2)c1
InChIInChI=1S/C19H18N4O4S/c1-26-14-8-9-15(27-2)12(10-14)11-20-16(24)18-22-23-19(28-18)17(25)21-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyWCJQTGDQVLPDLV-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.74
Rot. Bonds7

About 5-N-[(2,5-dimethoxyphenyl)methyl]-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide

5-N-[(2,5-dimethoxyphenyl)methyl]-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide (PubChem CID 46353994) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is 5-N-[(2,5-dimethoxyphenyl)methyl]-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(2,5-dimethoxyphenyl)methyl]-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
PubChem CID46353994
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name5-N-[(2,5-dimethoxyphenyl)methyl]-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2nnc(C(=O)Nc3ccccc3)s2)c1
InChIInChI=1S/C19H18N4O4S/c1-26-14-8-9-15(27-2)12(10-14)11-20-16(24)18-22-23-19(28-18)17(25)21-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyWCJQTGDQVLPDLV-UHFFFAOYSA-N
XLogP2.74
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-[(2-chlorophenyl)methyl]-2-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353628
N-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide
CID 33104762
N-(3-chlorophenyl)-5-[3-[(2,5-dimethoxyphenyl)methylamino]-3-oxopropyl]-1,3,4-thiadiazole-2-carboxamide
CID 46354742
5-[[(2,4-dimethoxyphenyl)carbamoylamino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 53100165
N-(4-methoxyphenyl)-5-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]-1,3,4-thiadiazole-2-carboxamide
CID 46354581
5-N-[(3-fluorophenyl)methyl]-2-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353695
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619175
N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide
CID 33097699
N-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 33102267
5-N-(1,3-benzodioxol-5-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353635
1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
CID 110774912

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2,5-dimethoxyphenyl)methyl]-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide?
The IUPAC name of 5-N-[(2,5-dimethoxyphenyl)methyl]-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide (CID 46353994) is 5-N-[(2,5-dimethoxyphenyl)methyl]-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[(2,5-dimethoxyphenyl)methyl]-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide?
The canonical SMILES for 5-N-[(2,5-dimethoxyphenyl)methyl]-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide is COc1ccc(OC)c(CNC(=O)c2nnc(C(=O)Nc3ccccc3)s2)c1.
What is the InChIKey of 5-N-[(2,5-dimethoxyphenyl)methyl]-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide?
The InChIKey is WCJQTGDQVLPDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-26-14-8-9-15(27-2)12(10-14)11-20-16(24)18-22-23-19(28-18)17(25)21-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of 5-N-[(2,5-dimethoxyphenyl)methyl]-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide?
5-N-[(2,5-dimethoxyphenyl)methyl]-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide has a molecular weight of 398.44 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2,5-dimethoxyphenyl)methyl]-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide is sourced from PubChem (CID 46353994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).