3-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]propanenitrile

C8H12N4OS — CID 133381590

IUPAC3-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]propanenitrile
SMILESCOCc1nsc(N(C)CCC#N)n1
InChIInChI=1S/C8H12N4OS/c1-12(5-3-4-9)8-10-7(6-13-2)11-14-8/h3,5-6H2,1-2H3
InChIKeyNRQVZWBDFHQGIN-UHFFFAOYSA-N
MW212.28 g/mol
LogP1.03
Rot. Bonds5

About 3-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]propanenitrile

3-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]propanenitrile (PubChem CID 133381590) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 3-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]propanenitrile.

Molecular Properties

Compound Name3-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]propanenitrile
PubChem CID133381590
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name3-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]propanenitrile
SMILESCOCc1nsc(N(C)CCC#N)n1
InChIInChI=1S/C8H12N4OS/c1-12(5-3-4-9)8-10-7(6-13-2)11-14-8/h3,5-6H2,1-2H3
InChIKeyNRQVZWBDFHQGIN-UHFFFAOYSA-N
XLogP1.03
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-3-(methoxymethyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 99813251
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-2-methylpropanenitrile
CID 65272261
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]propanenitrile
CID 65272048
3-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]propanenitrile
CID 115354838
3-[[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]propanenitrile
CID 114268224
N-(2-chloro-3-methoxypropyl)-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
CID 65277691
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-methylpentane-1,5-diamine
CID 107207074
3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)-methylamino]propanenitrile
CID 133381635
N-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine
CID 133490988
ethyl 2-[2-[2-cyanoethyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575673
3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 65273071
N-(5-chloropentyl)-N-methyl-3-propyl-1,2,4-thiadiazol-5-amine
CID 107205342

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]propanenitrile?
The IUPAC name of 3-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]propanenitrile (CID 133381590) is 3-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]propanenitrile.
What is the SMILES notation for 3-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]propanenitrile?
The canonical SMILES for 3-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]propanenitrile is COCc1nsc(N(C)CCC#N)n1.
What is the InChIKey of 3-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]propanenitrile?
The InChIKey is NRQVZWBDFHQGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-12(5-3-4-9)8-10-7(6-13-2)11-14-8/h3,5-6H2,1-2H3.
What are the key properties of 3-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]propanenitrile?
3-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]propanenitrile has a molecular weight of 212.28 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-methylamino]propanenitrile is sourced from PubChem (CID 133381590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).