N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine

C21H18N4O2S — CID 133318374

IUPACN-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESCOc1cccc(Oc2ccc(CNc3nc(-c4ccccc4)ns3)cn2)c1
InChIInChI=1S/C21H18N4O2S/c1-26-17-8-5-9-18(12-17)27-19-11-10-15(13-22-19)14-23-21-24-20(25-28-21)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,23,24,25)
InChIKeyYBRFMVZRIUTNMQ-UHFFFAOYSA-N
MW390.47 g/mol
LogP5.01
Rot. Bonds7

About N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine

N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine (PubChem CID 133318374) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
PubChem CID133318374
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESCOc1cccc(Oc2ccc(CNc3nc(-c4ccccc4)ns3)cn2)c1
InChIInChI=1S/C21H18N4O2S/c1-26-17-8-5-9-18(12-17)27-19-11-10-15(13-22-19)14-23-21-24-20(25-28-21)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,23,24,25)
InChIKeyYBRFMVZRIUTNMQ-UHFFFAOYSA-N
XLogP5.01
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133317329
2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide;dihydrochloride
CID 119847596
N-[(3-methylphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133316558
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969728
1-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111551871
1-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dimethylguanidine
CID 110916201
3-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 65268111
1-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111134454
methyl N-[4-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]carbamate
CID 133317518
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide
CID 55800754
1-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methyl-3-(1-phenylethyl)guanidine
CID 110947930
3-(3-methoxyphenyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 65268854

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine (CID 133318374) is N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine is COc1cccc(Oc2ccc(CNc3nc(-c4ccccc4)ns3)cn2)c1.
What is the InChIKey of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The InChIKey is YBRFMVZRIUTNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-26-17-8-5-9-18(12-17)27-19-11-10-15(13-22-19)14-23-21-24-20(25-28-21)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,23,24,25).
What are the key properties of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine has a molecular weight of 390.47 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133318374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).