1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpiperidin-3-amine

C11H18N4S — CID 65276097

IUPAC1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpiperidin-3-amine
SMILESCNC1CCCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C11H18N4S/c1-12-9-3-2-6-15(7-9)11-13-10(14-16-11)8-4-5-8/h8-9,12H,2-7H2,1H3
InChIKeyUDUMEQKWGAIJNX-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.60
Rot. Bonds3

About 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpiperidin-3-amine

1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpiperidin-3-amine (PubChem CID 65276097) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpiperidin-3-amine
PubChem CID65276097
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpiperidin-3-amine
SMILESCNC1CCCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C11H18N4S/c1-12-9-3-2-6-15(7-9)11-13-10(14-16-11)8-4-5-8/h8-9,12H,2-7H2,1H3
InChIKeyUDUMEQKWGAIJNX-UHFFFAOYSA-N
XLogP1.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-N-methylmethanamine
CID 65276256
3-cyclopropyl-5-[(3R)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole
CID 129349568
N-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
CID 71923656
N-[(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
CID 97097853
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpiperidin-4-amine
CID 113283152
ethyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylate
CID 65275419
tert-butyl N-[(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]carbamate
CID 133380890
3-cyclohexyl-5-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 164630168
3-cyclohexyl-5-[3-(methylsulfonylmethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 128850076
methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylate
CID 79839034
3-cyclopropyl-5-(4-cyclopropylidenepiperidin-1-yl)-1,2,4-thiadiazole
CID 121184324
[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155800065

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpiperidin-3-amine?
The IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpiperidin-3-amine (CID 65276097) is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpiperidin-3-amine?
The canonical SMILES for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpiperidin-3-amine is CNC1CCCN(c2nc(C3CC3)ns2)C1.
What is the InChIKey of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpiperidin-3-amine?
The InChIKey is UDUMEQKWGAIJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-12-9-3-2-6-15(7-9)11-13-10(14-16-11)8-4-5-8/h8-9,12H,2-7H2,1H3.
What are the key properties of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpiperidin-3-amine?
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpiperidin-3-amine has a molecular weight of 238.36 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpiperidin-3-amine is sourced from PubChem (CID 65276097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).