N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-1-amine

C12H22N4S — CID 65273588

IUPACN-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(c2nc(C)ns2)CC1
InChIInChI=1S/C12H22N4S/c1-3-6-13-9-11-4-7-16(8-5-11)12-14-10(2)15-17-12/h11,13H,3-9H2,1-2H3
InChIKeyZCLJNGDJWFQVQH-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.06
Rot. Bonds5

About N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-1-amine

N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-1-amine (PubChem CID 65273588) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-1-amine
PubChem CID65273588
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC NameN-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(c2nc(C)ns2)CC1
InChIInChI=1S/C12H22N4S/c1-3-6-13-9-11-4-7-16(8-5-11)12-14-10(2)15-17-12/h11,13H,3-9H2,1-2H3
InChIKeyZCLJNGDJWFQVQH-UHFFFAOYSA-N
XLogP2.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 126790732
5-(3-ethylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole
CID 127447355
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]ethanamine
CID 65272861
5-[3-(chloromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 65273292
2-methoxy-N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine
CID 65280695
N-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methyl]propan-1-amine
CID 62860368
N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]propan-1-amine
CID 65279975
3-methyl-5-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 154575527
5-[(3S)-3-ethylpiperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 99811960
2-methyl-N-[[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-2-amine
CID 65280390
N-cyclopropyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide
CID 163345339
1-(3-methyl-1,2,4-thiadiazol-5-yl)-N,N-di(propan-2-yl)piperidin-4-amine
CID 59598889

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-1-amine (CID 65273588) is N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-1-amine is CCCNCC1CCN(c2nc(C)ns2)CC1.
What is the InChIKey of N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-1-amine?
The InChIKey is ZCLJNGDJWFQVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-3-6-13-9-11-4-7-16(8-5-11)12-14-10(2)15-17-12/h11,13H,3-9H2,1-2H3.
What are the key properties of N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-1-amine?
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-1-amine has a molecular weight of 254.40 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 65273588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).