1-(4-methoxyphenyl)-N,N-dimethyl-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine

C19H22N4OS — CID 86893107

IUPAC1-(4-methoxyphenyl)-N,N-dimethyl-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCOc1ccc(C(CNc2nc(-c3ccccc3)ns2)N(C)C)cc1
InChIInChI=1S/C19H22N4OS/c1-23(2)17(14-9-11-16(24-3)12-10-14)13-20-19-21-18(22-25-19)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H,20,21,22)
InChIKeyZAQORGBRWLYLAZ-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.93
Rot. Bonds7

About 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine

1-(4-methoxyphenyl)-N,N-dimethyl-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (PubChem CID 86893107) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N,N-dimethyl-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
PubChem CID86893107
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name1-(4-methoxyphenyl)-N,N-dimethyl-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCOc1ccc(C(CNc2nc(-c3ccccc3)ns2)N(C)C)cc1
InChIInChI=1S/C19H22N4OS/c1-23(2)17(14-9-11-16(24-3)12-10-14)13-20-19-21-18(22-25-19)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H,20,21,22)
InChIKeyZAQORGBRWLYLAZ-UHFFFAOYSA-N
XLogP3.93
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine with MolForge

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Related Compounds

3-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 65268111
5-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine
CID 66280523
1-(4-methoxyphenyl)-N,N-dimethyl-N'-pyridin-4-ylethane-1,2-diamine
CID 82538540
3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268591
1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine
CID 24838118
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 43843486
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133406112
N-[(1-methoxycyclobutyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133459895
1-(4-methoxyphenyl)-N,N,3,3-tetramethylbutan-1-amine
CID 58442303
N'-decyl-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 159053593
1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine
CID 47012924
3-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,2,4-thiadiazole-5-carboxamide
CID 54133730

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The IUPAC name of 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (CID 86893107) is 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is COc1ccc(C(CNc2nc(-c3ccccc3)ns2)N(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The InChIKey is ZAQORGBRWLYLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-23(2)17(14-9-11-16(24-3)12-10-14)13-20-19-21-18(22-25-19)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H,20,21,22).
What are the key properties of 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
1-(4-methoxyphenyl)-N,N-dimethyl-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine has a molecular weight of 354.48 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N,N-dimethyl-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 86893107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).