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

C12H20N4S — CID 113283152

IUPAC1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C12H20N4S/c1-12(13-2)5-7-16(8-6-12)11-14-10(15-17-11)9-3-4-9/h9,13H,3-8H2,1-2H3
InChIKeyPDLTZYVPKMDSOY-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.99
Rot. Bonds3

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

1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpiperidin-4-amine (PubChem CID 113283152) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpiperidin-4-amine
PubChem CID113283152
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C12H20N4S/c1-12(13-2)5-7-16(8-6-12)11-14-10(15-17-11)9-3-4-9/h9,13H,3-8H2,1-2H3
InChIKeyPDLTZYVPKMDSOY-UHFFFAOYSA-N
XLogP1.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpiperidin-4-amine?
The IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpiperidin-4-amine (CID 113283152) is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpiperidin-4-amine is CNC1(C)CCN(c2nc(C3CC3)ns2)CC1.
What is the InChIKey of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpiperidin-4-amine?
The InChIKey is PDLTZYVPKMDSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-12(13-2)5-7-16(8-6-12)11-14-10(15-17-11)9-3-4-9/h9,13H,3-8H2,1-2H3.
What are the key properties of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpiperidin-4-amine?
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpiperidin-4-amine has a molecular weight of 252.39 g/mol, XLogP of 1.99, 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,4-dimethylpiperidin-4-amine is sourced from PubChem (CID 113283152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).