N-butyl-3-(methoxymethyl)-N-methyl-1,2,4-thiadiazol-5-amine

C9H17N3OS — CID 99813251

IUPACN-butyl-3-(methoxymethyl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCCCCN(C)c1nc(COC)ns1
InChIInChI=1S/C9H17N3OS/c1-4-5-6-12(2)9-10-8(7-13-3)11-14-9/h4-7H2,1-3H3
InChIKeyQJRVCPMUWMQCHO-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.92
Rot. Bonds6

About N-butyl-3-(methoxymethyl)-N-methyl-1,2,4-thiadiazol-5-amine

N-butyl-3-(methoxymethyl)-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 99813251) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is N-butyl-3-(methoxymethyl)-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-butyl-3-(methoxymethyl)-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID99813251
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC NameN-butyl-3-(methoxymethyl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCCCCN(C)c1nc(COC)ns1
InChIInChI=1S/C9H17N3OS/c1-4-5-6-12(2)9-10-8(7-13-3)11-14-9/h4-7H2,1-3H3
InChIKeyQJRVCPMUWMQCHO-UHFFFAOYSA-N
XLogP1.92
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]propanenitrile
CID 133381590
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-methylpentane-1,5-diamine
CID 107207074
N-(5-chloropentyl)-N-methyl-3-propyl-1,2,4-thiadiazol-5-amine
CID 107205342
N-(2-chloro-3-methoxypropyl)-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
CID 65277691
3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 65273071
4-N-butyl-6-N-ethyl-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine
CID 113401240
3-N-cyclododecyl-5-N-methyl-5-N-octadecyl-1,2,4-thiadiazole-3,5-diamine
CID 10302730
N-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine
CID 133490988
methyl 4-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butanoate
CID 65274920
5-N-butyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103362406
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-2-methylpropanenitrile
CID 65272261
N'-(3-benzyl-1,2,4-thiadiazol-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 66879400

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(methoxymethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-butyl-3-(methoxymethyl)-N-methyl-1,2,4-thiadiazol-5-amine (CID 99813251) is N-butyl-3-(methoxymethyl)-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-butyl-3-(methoxymethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-butyl-3-(methoxymethyl)-N-methyl-1,2,4-thiadiazol-5-amine is CCCCN(C)c1nc(COC)ns1.
What is the InChIKey of N-butyl-3-(methoxymethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is QJRVCPMUWMQCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-4-5-6-12(2)9-10-8(7-13-3)11-14-9/h4-7H2,1-3H3.
What are the key properties of N-butyl-3-(methoxymethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
N-butyl-3-(methoxymethyl)-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 215.32 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(methoxymethyl)-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 99813251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).