N-[[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C15H25N3S — CID 114597283

IUPACN-[[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC1CC(C)C(C)N(c2ncc(CNC3CC3)s2)C1
InChIInChI=1S/C15H25N3S/c1-10-6-11(2)12(3)18(9-10)15-17-8-14(19-15)7-16-13-4-5-13/h8,10-13,16H,4-7,9H2,1-3H3
InChIKeyHTNIRJLLSCGUAH-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.27
Rot. Bonds4

About N-[[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 114597283) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is N-[[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID114597283
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC NameN-[[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC1CC(C)C(C)N(c2ncc(CNC3CC3)s2)C1
InChIInChI=1S/C15H25N3S/c1-10-6-11(2)12(3)18(9-10)15-17-8-14(19-15)7-16-13-4-5-13/h8,10-13,16H,4-7,9H2,1-3H3
InChIKeyHTNIRJLLSCGUAH-UHFFFAOYSA-N
XLogP3.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 114597283) is N-[[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is CC1CC(C)C(C)N(c2ncc(CNC3CC3)s2)C1.
What is the InChIKey of N-[[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is HTNIRJLLSCGUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-10-6-11(2)12(3)18(9-10)15-17-8-14(19-15)7-16-13-4-5-13/h8,10-13,16H,4-7,9H2,1-3H3.
What are the key properties of N-[[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 279.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114597283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).