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

C15H28N4S — CID 65280390

IUPAC2-methyl-N-[[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-2-amine
SMILESCCCc1nsc(N2CCC(CNC(C)(C)C)CC2)n1
InChIInChI=1S/C15H28N4S/c1-5-6-13-17-14(20-18-13)19-9-7-12(8-10-19)11-16-15(2,3)4/h12,16H,5-11H2,1-4H3
InChIKeyCWBSGBVSZDSMAZ-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.10
Rot. Bonds5

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

2-methyl-N-[[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-2-amine (PubChem CID 65280390) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is 2-methyl-N-[[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-2-amine
PubChem CID65280390
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC Name2-methyl-N-[[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-2-amine
SMILESCCCc1nsc(N2CCC(CNC(C)(C)C)CC2)n1
InChIInChI=1S/C15H28N4S/c1-5-6-13-17-14(20-18-13)19-9-7-12(8-10-19)11-16-15(2,3)4/h12,16H,5-11H2,1-4H3
InChIKeyCWBSGBVSZDSMAZ-UHFFFAOYSA-N
XLogP3.10
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanamine
CID 65276254
2-methyl-2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine
CID 65272260
1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanamine
CID 103976799
1-(3-propyl-1,2,4-thiadiazol-5-yl)azetidin-3-ol
CID 65275177
4-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol
CID 81114967
N-[[1-(5,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 114477142
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-1-amine
CID 65273588
5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole
CID 65271904
2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
CID 65274711
5-(4-propylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine
CID 66280341
2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide
CID 65271947
N-[[1-(2,1-benzothiazol-3-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 66354267

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-2-amine (CID 65280390) is 2-methyl-N-[[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-2-amine is CCCc1nsc(N2CCC(CNC(C)(C)C)CC2)n1.
What is the InChIKey of 2-methyl-N-[[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-2-amine?
The InChIKey is CWBSGBVSZDSMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-5-6-13-17-14(20-18-13)19-9-7-12(8-10-19)11-16-15(2,3)4/h12,16H,5-11H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-2-amine has a molecular weight of 296.48 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 65280390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).