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

C15H28N4S — CID 134701294

IUPACN-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
SMILESCc1nnc(CN(C)CC2CCN(CC(C)C)CC2)s1
InChIInChI=1S/C15H28N4S/c1-12(2)9-19-7-5-14(6-8-19)10-18(4)11-15-17-16-13(3)20-15/h12,14H,5-11H2,1-4H3
InChIKeyWLWGVJLOEZUBHE-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.65
Rot. Bonds6

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

N-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine (PubChem CID 134701294) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is N-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
PubChem CID134701294
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC NameN-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
SMILESCc1nnc(CN(C)CC2CCN(CC(C)C)CC2)s1
InChIInChI=1S/C15H28N4S/c1-12(2)9-19-7-5-14(6-8-19)10-18(4)11-15-17-16-13(3)20-15/h12,14H,5-11H2,1-4H3
InChIKeyWLWGVJLOEZUBHE-UHFFFAOYSA-N
XLogP2.65
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine with MolForge

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Related Compounds

4-Ethyl-4-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-YL)methyl]piperidine
CID 131928762
2-[(3-Fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole
CID 126790333
2-[[4-(Fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 126793776
2-Propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole
CID 166030935
2-Methyl-5-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole
CID 166085250
2-Methyl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole
CID 176693057
2-Ethoxy-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazole
CID 47069102
5-[(4-Methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 79021795
2-[1-[(5-Chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanamine
CID 80606250
2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylethanamine
CID 80606353
1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 80606646
5-[[4-[(Dimethylamino)methyl]piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80606689

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine (CID 134701294) is N-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine is Cc1nnc(CN(C)CC2CCN(CC(C)C)CC2)s1.
What is the InChIKey of N-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine?
The InChIKey is WLWGVJLOEZUBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-12(2)9-19-7-5-14(6-8-19)10-18(4)11-15-17-16-13(3)20-15/h12,14H,5-11H2,1-4H3.
What are the key properties of N-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine?
N-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine has a molecular weight of 296.48 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 134701294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).