5-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine

C13H19N5OS — CID 66280523

IUPAC5-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine
SMILESCOc1cccc(C(CNc2nc(N)ns2)N(C)C)c1
InChIInChI=1S/C13H19N5OS/c1-18(2)11(8-15-13-16-12(14)17-20-13)9-5-4-6-10(7-9)19-3/h4-7,11H,8H2,1-3H3,(H3,14,15,16,17)
InChIKeyFBXWIZOBKWZKAE-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.84
Rot. Bonds6

About 5-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine

5-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66280523) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 5-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine
PubChem CID66280523
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name5-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine
SMILESCOc1cccc(C(CNc2nc(N)ns2)N(C)C)c1
InChIInChI=1S/C13H19N5OS/c1-18(2)11(8-15-13-16-12(14)17-20-13)9-5-4-6-10(7-9)19-3/h4-7,11H,8H2,1-3H3,(H3,14,15,16,17)
InChIKeyFBXWIZOBKWZKAE-UHFFFAOYSA-N
XLogP1.84
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methoxyphenyl)-N,N-dimethyl-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 86893107
(1S)-N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 51932503
N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177837
5-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine
CID 125438511
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine
CID 43094028
N'-(6-fluoropyrimidin-4-yl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 115416422
N'-(2,2-dimethoxyethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 63686447
N'-(3-fluoropropyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 81106317
2-(2-aminoethyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 120639941
N'-but-3-ynyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 55210968
N'-[(E)-3-chloroprop-2-enyl]-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 107899641
2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 119830994

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine (CID 66280523) is 5-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine is COc1cccc(C(CNc2nc(N)ns2)N(C)C)c1.
What is the InChIKey of 5-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is FBXWIZOBKWZKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-18(2)11(8-15-13-16-12(14)17-20-13)9-5-4-6-10(7-9)19-3/h4-7,11H,8H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 5-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine?
5-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 293.40 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66280523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).