1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-N-methylmethanamine

C12H20N4S — CID 65276256

IUPAC1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C12H20N4S/c1-13-7-9-3-2-6-16(8-9)12-14-11(15-17-12)10-4-5-10/h9-10,13H,2-8H2,1H3
InChIKeyAHNMBOBAZVDIIU-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.85
Rot. Bonds4

About 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-N-methylmethanamine

1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-N-methylmethanamine (PubChem CID 65276256) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-N-methylmethanamine
PubChem CID65276256
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C12H20N4S/c1-13-7-9-3-2-6-16(8-9)12-14-11(15-17-12)10-4-5-10/h9-10,13H,2-8H2,1H3
InChIKeyAHNMBOBAZVDIIU-UHFFFAOYSA-N
XLogP1.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpiperidin-3-amine
CID 65276097
N-methyl-1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanamine
CID 65276254
3-cyclopropyl-5-[(3R)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole
CID 129349568
1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 65280462
N-methyl-1-[1-(thiatriazol-5-yl)piperidin-3-yl]methanamine
CID 117045202
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
ethyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylate
CID 65275419
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]ethanamine
CID 65272861
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
methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylate
CID 79839034

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-N-methylmethanamine (CID 65276256) is 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-N-methylmethanamine is CNCC1CCCN(c2nc(C3CC3)ns2)C1.
What is the InChIKey of 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-N-methylmethanamine?
The InChIKey is AHNMBOBAZVDIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-13-7-9-3-2-6-16(8-9)12-14-11(15-17-12)10-4-5-10/h9-10,13H,2-8H2,1H3.
What are the key properties of 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-N-methylmethanamine?
1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-N-methylmethanamine has a molecular weight of 252.39 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 65276256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).