N-ethyl-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine

C13H23N3S — CID 63830814

IUPACN-ethyl-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine
SMILESCCNC1CCN(CCc2cscn2)C(C)C1
InChIInChI=1S/C13H23N3S/c1-3-14-12-4-6-16(11(2)8-12)7-5-13-9-17-10-15-13/h9-12,14H,3-8H2,1-2H3
InChIKeyKLAMMMZTCJUIKY-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.15
Rot. Bonds5

About N-ethyl-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine

N-ethyl-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine (PubChem CID 63830814) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine
PubChem CID63830814
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-ethyl-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine
SMILESCCNC1CCN(CCc2cscn2)C(C)C1
InChIInChI=1S/C13H23N3S/c1-3-14-12-4-6-16(11(2)8-12)7-5-13-9-17-10-15-13/h9-12,14H,3-8H2,1-2H3
InChIKeyKLAMMMZTCJUIKY-UHFFFAOYSA-N
XLogP2.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine?
The IUPAC name of N-ethyl-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine (CID 63830814) is N-ethyl-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine?
The canonical SMILES for N-ethyl-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine is CCNC1CCN(CCc2cscn2)C(C)C1.
What is the InChIKey of N-ethyl-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine?
The InChIKey is KLAMMMZTCJUIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-14-12-4-6-16(11(2)8-12)7-5-13-9-17-10-15-13/h9-12,14H,3-8H2,1-2H3.
What are the key properties of N-ethyl-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine?
N-ethyl-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine has a molecular weight of 253.41 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 63830814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).