5-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine

C15H28N4S — CID 83010249

IUPAC5-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNN2C(C)CCCC2C)s1
InChIInChI=1S/C15H28N4S/c1-5-18(6-2)15-16-10-14(20-15)11-17-19-12(3)8-7-9-13(19)4/h10,12-13,17H,5-9,11H2,1-4H3
InChIKeyULHXXBUCNBPDIQ-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.26
Rot. Bonds6

About 5-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine

5-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine (PubChem CID 83010249) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is 5-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
PubChem CID83010249
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC Name5-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNN2C(C)CCCC2C)s1
InChIInChI=1S/C15H28N4S/c1-5-18(6-2)15-16-10-14(20-15)11-17-19-12(3)8-7-9-13(19)4/h10,12-13,17H,5-9,11H2,1-4H3
InChIKeyULHXXBUCNBPDIQ-UHFFFAOYSA-N
XLogP3.26
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine (CID 83010249) is 5-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNN2C(C)CCCC2C)s1.
What is the InChIKey of 5-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The InChIKey is ULHXXBUCNBPDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-5-18(6-2)15-16-10-14(20-15)11-17-19-12(3)8-7-9-13(19)4/h10,12-13,17H,5-9,11H2,1-4H3.
What are the key properties of 5-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine?
5-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine has a molecular weight of 296.48 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 83010249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).