N,N-dimethyl-5-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine

C22H27N5OS — CID 166622197

IUPACN,N-dimethyl-5-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine
SMILESCN(C)c1nsc(N2CCN(C(COc3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C22H27N5OS/c1-25(2)21-23-22(29-24-21)27-15-13-26(14-16-27)20(18-9-5-3-6-10-18)17-28-19-11-7-4-8-12-19/h3-12,20H,13-17H2,1-2H3
InChIKeyYTLDFBSFBYQFGH-UHFFFAOYSA-N
MW409.56 g/mol
LogP3.55
Rot. Bonds7

About N,N-dimethyl-5-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine

N,N-dimethyl-5-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine (PubChem CID 166622197) has the molecular formula C22H27N5OS and a molecular weight of 409.56 g/mol. Its IUPAC name is N,N-dimethyl-5-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine
PubChem CID166622197
Molecular FormulaC22H27N5OS
Molecular Weight409.56 g/mol
Exact Mass409.19
IUPAC NameN,N-dimethyl-5-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine
SMILESCN(C)c1nsc(N2CCN(C(COc3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C22H27N5OS/c1-25(2)21-23-22(29-24-21)27-15-13-26(14-16-27)20(18-9-5-3-6-10-18)17-28-19-11-7-4-8-12-19/h3-12,20H,13-17H2,1-2H3
InChIKeyYTLDFBSFBYQFGH-UHFFFAOYSA-N
XLogP3.55
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-5-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine with MolForge

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Related Compounds

1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride
CID 21228853
4-[[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methyl]-1,2-thiazole
CID 157011589
(2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157014538
(2-methylpyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157018471
[3-(hydroxymethyl)azetidin-3-yl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157015324
[1-(methoxymethyl)cyclopropyl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157014799
(5-methyl-1H-pyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157013036
2-(cyclopropylamino)-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]ethanone
CID 157016143
3-cyclopropyl-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]propan-1-one
CID 157011519
3-(methoxymethyl)-5-[4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-1,2,4-thiadiazole
CID 129471048
(2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenoxypropan-2-ol
CID 95317688
1-(2-methoxy-1-phenylethyl)pyrrolidine
CID 59124240

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine?
The IUPAC name of N,N-dimethyl-5-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine (CID 166622197) is N,N-dimethyl-5-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for N,N-dimethyl-5-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine?
The canonical SMILES for N,N-dimethyl-5-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine is CN(C)c1nsc(N2CCN(C(COc3ccccc3)c3ccccc3)CC2)n1.
What is the InChIKey of N,N-dimethyl-5-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine?
The InChIKey is YTLDFBSFBYQFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS/c1-25(2)21-23-22(29-24-21)27-15-13-26(14-16-27)20(18-9-5-3-6-10-18)17-28-19-11-7-4-8-12-19/h3-12,20H,13-17H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine?
N,N-dimethyl-5-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine has a molecular weight of 409.56 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 166622197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).