3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]propanenitrile

C11H16N4OS — CID 65272048

IUPAC3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)c1nc(C2CC2)ns1
InChIInChI=1S/C11H16N4OS/c1-16-8-7-15(6-2-5-12)11-13-10(14-17-11)9-3-4-9/h9H,2-4,6-8H2,1H3
InChIKeyPEAXHUCDQKQFPW-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.78
Rot. Bonds7

About 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]propanenitrile

3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]propanenitrile (PubChem CID 65272048) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]propanenitrile
PubChem CID65272048
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)c1nc(C2CC2)ns1
InChIInChI=1S/C11H16N4OS/c1-16-8-7-15(6-2-5-12)11-13-10(14-17-11)9-3-4-9/h9H,2-4,6-8H2,1H3
InChIKeyPEAXHUCDQKQFPW-UHFFFAOYSA-N
XLogP1.78
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-ethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]propanenitrile
CID 63286373
N-(2-chloroethyl)-3-cyclopropyl-N-ethyl-1,2,4-thiadiazol-5-amine
CID 65277512
2-[butyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65275113
1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-3-methoxypropan-2-ol
CID 65275225
3-[2-methoxyethyl(pyrimidin-2-yl)amino]propanenitrile
CID 63286973
3-[2,1-benzothiazol-3-yl(2-methoxyethyl)amino]propanenitrile
CID 66356130
3-[2-[2-cyanoethyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103487617
3-[2-methoxyethyl(pyridin-4-yl)amino]propanenitrile
CID 55218453
N,3-dicyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine
CID 131179833
N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494312
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80984282
3-[(2-chloro-6-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 63286901

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]propanenitrile (CID 65272048) is 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]propanenitrile is COCCN(CCC#N)c1nc(C2CC2)ns1.
What is the InChIKey of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]propanenitrile?
The InChIKey is PEAXHUCDQKQFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-16-8-7-15(6-2-5-12)11-13-10(14-17-11)9-3-4-9/h9H,2-4,6-8H2,1H3.
What are the key properties of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]propanenitrile?
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]propanenitrile has a molecular weight of 252.34 g/mol, XLogP of 1.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 65272048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).